ethyl 5-cyano-1-(2-cyanoethyl)-2-oxidanylidene-5-phenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 5-cyano-1-(2-cyanoethyl)-2-oxidanylidene-5-phenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 5-cyano-1-(2-cyanoethyl)-2-oxo-5-phenyl-cyclohexanecarboxylate CAS Name: 5-cyano-1-(2-cyanoethyl)-2-oxo-5-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-(2-cyanoethyl)-2-oxo-5-phenylcyclohexane-1-carboxylate Traditional Name: 5-cyano-1-(2-cyanoethyl)-2-keto-5-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(CCC1=O)(C#N)C2=CC=CC=C2)CCC#N

Isomeric SMILES

CCOC(=O)C1(CC(CCC1=O)(C#N)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C19H20N2O3/c1-2-24-17(23)19(10-6-12-20)13-18(14-21,11-9-16(19)22)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-11,13H2,1H3