Get Systematic Chemical Names for Structures, and Produce Structures from Names
ACD/Name generates chemical names according to IUPAC rules, converts chemical names to structures, and easily handles challenging areas of nomenclature.
Generate names for organic; biochemical; and some inorganic, organometallic, and polymer structures
Convert systematic or trivial names to structures
Benefits
IUPAC Naming at Your Fingertips
Easy to Use
Name your molecule with one button click
Exhaustive Coverage
Generate names and structures for a broad array of molecules
Chemically Aware
Identifies tautomers and stereocenters automatically
Accurate and Up-to-Date Implementation of IUPAC Rules
Name is updated regularly to support new recommendations.
Deeper Understanding of Nomenclature Rules
Highlight each fragment of your structure to view the applicable IUPAC rule
Assign stereodescriptors and numbering to atoms; display a "hierarchical graph" for each stereocenter.
Dynamically display the nomenclature rules used to name your structure.
Name steroids and other natural parent compounds in accordance with IUPAC recommendations.
Generate the preferred IUPAC name for your structure with the click of a button.
Names for peptide sequences can be represented with one- or three-letter codes for amino acids.
Generate names for branched ring assemblies.
Assign stereodescriptors and numbering to atoms; display a "hierarchical graph" for each stereocenter.
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Examine the generated name and references to the IUPAC rule from which the structure was derived
Customer Reviews
“We use ACD/Name daily to verify the nomenclature of submitted manuscripts.”
Richard J. Smith,
Managing Editor, Helvetica Chimica Acta
“ACD/Name was temporarily unavailable for <1 month when we moved to new PCs; more than 50% of patent attorneys noticed and complained during that time.”
Dave Ennis
AstraZeneca
“When compared with other naming software...the quality of names generated from ACD/Name is second-to-none.”
Generate accurate systematic names according to IUPAC recommendations
Produce Index names in accordance with CAS nomenclature rules*
Generate names for organic, biochemical, inorganic, and organometallic structures, including:
Various functional groups, including acids, alcohols, aldehydes, ketones, ethers, peroxides, salts, and more
Mono- and polycyclic systems
Homogeneous and heterogeneous chains
Natural product structures (steroids, alkaloids, terpenes, and carotenes)
Carbohydrates (in Haworth and other representations)
Amino acids, peptides, and derivatives
Radicals and charged structures
Some polymers
Assign stereodescriptors (R/S, E/Z, M/P, r/s, seqCis/seqTrans, α/β, and cis/trans)
Assign numbering to atoms
Display a “hierarchical graph” for each stereocenter
Dynamically display the nomenclature rules used to name your structure
Import multiple structures from SDfiles and automatically generate their names
Export structures and names as SDfiles
* Index naming algorithms have been developed by ACD/Labs alone and CAS makes no warranty or guarantee about its effectiveness or accuracy. If you require chemical substance names for reporting to regulatory agencies, they should be manually checked or obtained directly from CAS.
Generate accurate structures from chemical names, including:
Systematic, semisystematic and trivial names of organic compounds
Natural product structures and derivatives
Amino acids and peptides; including three-letter codes for peptides
Complex molecules such as carbohydrates and polysaccharides
Functional groups, including acids and derivatives, aldehydes, ketones, alcohols, ethers, and more
Incorrect names that do not strictly follow Organic Nomenclature rules
Generate structure from many names and identifiers, including:
InChI and SMILES notations
CAS Registry and EU numbers
Trade and registered names (INN, USAN, BAN, JAN)
Designate the stereoconfiguration of chiral centers and double bonds
Generate structure derivatives using trivial and semi-trivial names from Dictionary
Ambiguous names produce a warning, or generate several possible structures for review
Generate systematic names in English, French and German
IUPAC naming is supported in 15 additional languages—Bulgarian, Croatian, Danish, Dutch, Finnish, Greek, Hungarian, Italian, Polish, Portuguese, Romanian, Russian, Slovenian, Spanish, and Swedish**
Differences in spelling, grammar, and order of citation for substituents are taken into account for these language variations
Set your nomenclature and language preferences
** The development of naming in specific languages is ongoing and, in some instances, the generated name may deviate from local language recommendations. We recommend consulting nomenclature recommendations for your language to ensure accuracy.
Name (Chemist Version)
Quick and simple generation of IUPAC names
For scientists that don’t need the advanced functionality of ACD/Name, we offer ACD/Name (Chemist Version).
This software generates IUPAC names from structures, and structures from names; without the advanced functionality, language options, and rule derivations required by nomenclature experts.
Microsoft Windows compatible PC with minimum 2-core CPU
4 GB or more RAM
Minimum of 40 GB of disk space
Software License
Granted in perpetuity, with a term of technical support and software updates included.
Subscription License
Subscribe to use the software yearly, outside of which the license is invalid. Automatically renewed until cancelled.
ACD/Labs’ maintenance delivers product enhancements, bug fixes, software updates, and access to our knowledgeable technical support specialists for the term of the plan. Read the full details here.
Deployment/Integration Options
Need to Name Hundreds or Thousands of Compounds?
For researchers who need to generate names for compound libraries, or process hundreds of structures for compound registration, we offer ACD/Name Batch and ACD/Name to Structure Batch.
Generate names for thousands of structures in one session
Select between different languages for generating IUPAC names
Process text files and databases in SDFormat
Generate InChI identifiers
Save the generated names to .sdf, .rtf, or .txt files
Available for Windows or Linus operating systems
ChemSketch is included with Name for all your structure drawing needs.
Start in the ChemSketch interface to draw or import a structure, and quickly generate the IUPAC name for your drawn structure with one button click.
The IUPAC Recommendations on the Nomenclature of Organic Chemistry (IUPAC Blue Book)1 provide naming principles for all classes of organic compounds, and continue to evolve.
In 2013, a new version of the IUPAC Blue Book was published, which included a variety of changes and new recommendations to keep pace with the growing complexity of chemical substances.
The most significant change was the concept of “Preferred IUPAC Name” (PIN), established by a hierarchical order of criteria allowing the derivation of a unique systematic name intended for registrations, patents, regulations, etc.
Additionally, this publication included nomenclature principles developed for more complex substances and new classes of compounds such as fullerenes and cyclophanes.
The majority of the updated IUPAC organic nomenclature recommendations have been implemented in ACD/Name v2015 and later. The full text of these recommendations is available in the print version1 and in HTML format2. We hope to make these recommendations available in our ACD/Name software in the future.
Previous published versions of the IUPAC Nomenclature Rules (from 1979 and 1993) are provided electronically on our web site here.
Our Contribution
ACD/Labs is proud of our participation in the development of new organic nomenclature recommendations both via our long membership in the corresponding IUPAC bodies and our contribution of the results of our work in the area of nomenclature. We continue to update our Name software to support these new recommendations.
References
Favre, Henri A. and Powell, Warren H. Nomenclature of Organic Chemistry. IUPAC Recommendations and Preferred Name 2013. Cambridge, UK: The Royal Society of Chemistry, 2013. ISBN 978-0-85404-182-4.
