methyl 1-cyano-3-methyl-6-(4-methylphenyl)-4-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-cyano-3-methyl-6-(4-methylphenyl)-4-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl 1-cyano-3-methyl-4-oxo-2-phenyl-6-(p-tolyl)cyclohexanecarboxylate CAS Name: 1-cyano-3-methyl-6-(4-methylphenyl)-4-oxo-2-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-cyano-3-methyl-6-(4-methylphenyl)-4-oxo-2-phenylcyclohexane-1-carboxylate Traditional Name: 1-cyano-4-keto-3-methyl-2-phenyl-6-(p-tolyl)cyclohexanecarboxylic acid methyl ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(CC1=O)C2=CC=C(C=C2)C)(C#N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1C(C(C(CC1=O)C2=CC=C(C=C2)C)(C#N)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO3/c1-15-9-11-17(12-10-15)19-13-20(25)16(2)21(18-7-5-4-6-8-18)23(19,14-24)22(26)27-3/h4-12,16,19,21H,13H2,1-3H3