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Generate Chemical Names According to IUPAC Nomenclature Rules

Generate Chemical Names From Structures

ACD/Name generates chemical names according to IUPAC nomenclature rules. Naming is available for basic structures as well as challenging areas of nomenclature, such as biological molecules, organometallics, and polymers. Significant improvements in the recognition and definition of steroconfiguation are a key feature of the latest version release.

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Generate the Preferred IUPAC Name from a chemical structure Preferred IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

Convert Chemical Names to Structures with our Name to Structure Functionality

ACD/Name features the ability to generate a chemical structure from a name. InChI and SMILES notations can be converted to a chemical name, as well as CAS Registry and EU numbers. Warnings about ambiguous names or several possible structures are provided. Generate a structure from systematic names of most classes of general organic compounds, and derivatives of natural products.

IUPAC Nomenclature Rules

ACD/Labs produced an electronic version of the IUPAC Nomenclature Rules—incorporating them into the software interface of ACD/Name and hosting them 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. Our software has seen annual updates since it's first release 25 years ago, and now incorproates the most recent version of the IUPAC Nomenclature Rules, released in 2013.

IUPAC Nomenclature Rules (IUPAC Blue Book)

Generate Chemical Names for Free!

ACD/Labs also offers free IUPAC name generation with our ChemSketch Freeware software. Available for naming structures with fewer than 50 atoms and 3 rings, this naming capability is built-in to our popular drawing software for academic and personal use. Read more about ChemSketch here.

Additional Resources

ACD/Labs algorithms will continue to equip ChemSpider with physicochemical property values and chemical nomenclature following ten year milestone.

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.

When naming chemical compounds, there are a myriad of correct names that accurately describe the structure. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, fluoxetine, or Prozac—they can all be interpreted as the same compound. But is there a “more correct” name? There wasn’t, until recently…