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Generate IUPAC Names from Chemical Structures with ACD/Name

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 can easily handle challenging areas of nomenclature.

  • Use Name to generate the IUPAC Name for your molecular compound
  • Convert name to structure; enter the systematic or trivial name for structure generation
"We use ACD/Name daily to verify the nomenclature of submitted manuscripts." Richard J. Smith, Managing Editor, Helvetica Chimica Acta
Generate the IUPAC name for your structure, or enter a name to produce the chemical structure

Chemical Structure to Name

  • Generate the preferred IUPAC name for your structure with the click of a button
    Generate the preferred IUPAC name for your structure with the click of a button
  • Name steroids and other natural parent compounds in accordance with IUPAC recommendations
    Name steroids and other natural parent compounds in accordance with IUPAC recommendations
  • Names for peptide sequences can be represented with one- or three-letter codes for amino acids
    Names for peptide sequences can be represented with one- or three-letter codes for amino acids
  • Generate names for branched ring assemblies
    Generate names for branched ring assemblies
  • Assign stereodescriptors and numbering to atoms; display a 'hierarchical graph' for each stereocenter
    Assign stereodescriptors and numbering to atoms; display a "hierarchical graph" for each stereocenter
  • Generate accurate systematic names according to IUPAC recommendations
  • Produce Index names in accordance with CAS nomenclature rules*
  • Produce complex names for biochemical, inorganic, and organometallic structures and polymers
  • Assign stereodescriptors and numbering to atoms; display a "hierarchical graph" for each stereocenter
  • Draw, import, or simply paste your molecular structures for naming

* 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.

Chemical Name to Structure

  • Generate accurate structures from chemical names with the Name-to-Structure module
  • Assign stereodescriptors and numbering to atoms
  • Ambiguous names produce a warning, or generate several possible structures for review
  • Generate structure from many identifiers including InChI and SMILES notations, some CAS Registry and EU numbers, semi-systematic and trivial names, and some trade and registered names (INN, USAN, BAN, JAN)
Enter a name to produce a structure; further examine the structure for the preferred IUPAC name and other properties

Naming Supported in 18 Languages

Chemical nomemclature supported in 18 languages with ACD/Name
  • Systematic names provided 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.

** 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.

IUPAC Nomenclature Rules

ACD/Labs uniquely provides an electronic version of the IUPAC Nomenclature Rules. These rules are incorporated into the software interface of ACD/Name and hosted for browsing/searching on our web site here.

The IUPAC Recommendations on the Nomenclature of Organic Chemistry (IUPAC Blue Book) provide naming principles for all classes of organic compounds, and continues to evolve. ACD/Name allows you to examine the rules used in your name generation to better understand the applied principles.

  • Review the full text of basic IUPAC nomenclature recommendations
Dynamically display the nomenclature rules used to name your structure
Dynamically display the nomenclature rules used to name your structure

Related Products and Services

Name Batch Products

ACD/Name Batch and ACD/Name to Structure Batch generate accurate chemical names or structures for entire libraries of compounds at once, quickly and accurately. Specify naming preferences, report preferences and enable warning reports to meet your requirements.

ACD/Name (Chemist Version)

ACD/Name (Chemist Version) offers a standardized set of features for quick and simple generation of IUPAC names, and structures from names, without advanced functionality, language options, and rule derivations required by nomenclature experts.

Chemical Nomenclature Service

Need to name only a handful of structures per year? We offer a fee-based service through which you can submit your structure and have our experts provide you with the name. Also available for 'name-to-structure' requests.

See a full comparison of all ACD/Labs Nomenclature products here.

Resources

Follow the steps outlined in this video to generate a name for a drawn structure and explore the configurable options within our naming software. 2.0min
Play

Do you always update your software programs as soon as the next release is available? Read on for a customer story about why updating to the newest release is important, not to mention the importance of always checking your own work!
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Chemical nomenclature may seem like a simplistic chemistry discipline; a requirement of every chemical pursuit that is often overlooked for the vital importance it plays. Here we discuss the legacy of our contribution to the field of chemical nomenclature—ACD/Name—and take a look at what has changed in the field of chemical naming over the past two decades.
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Andrey Yerin, project leader for ACD/Labs nomenclature products, reflects on his 25 years with the company and the development of our Name software over that time.
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