methyl 2-cyano-2-(cyclohepten-1-yl)butanoate

Systemtic Name: methyl 2-cyano-2-(cyclohepten-1-yl)butanoate Openeye Name: methyl 2-cyano-2-(cyclohepten-1-yl)butanoate CAS Name: 2-cyano-2-(1-cycloheptenyl)butanoic acid methyl ester IUPAC Name: methyl 2-cyano-2-(cyclohepten-1-yl)butanoate Traditional Name: 2-cyano-2-(cyclohepten-1-yl)butyric acid methyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=CCCCCC1)C(=O)OC

Isomeric SMILES

CCC(C#N)(C1=CCCCCC1)C(=O)OC

InChI

InChI=1S/C13H19NO2/c1-3-13(10-14,12(15)16-2)11-8-6-4-5-7-9-11/h8H,3-7,9H2,1-2H3