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

Systemtic Name: methyl 6-(4-chlorophenyl)-1-cyano-3-methyl-4-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl 6-(4-chlorophenyl)-1-cyano-3-methyl-4-oxo-2-phenyl-cyclohexanecarboxylate CAS Name: 6-(4-chlorophenyl)-1-cyano-3-methyl-4-oxo-2-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-chlorophenyl)-1-cyano-3-methyl-4-oxo-2-phenylcyclohexane-1-carboxylate Traditional Name: 6-(4-chlorophenyl)-1-cyano-4-keto-3-methyl-2-phenyl-cyclohexanecarboxylic acid methyl ester Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3/c1-14-19(25)12-18(15-8-10-17(23)11-9-15)22(13-24,21(26)27-2)20(14)16-6-4-3-5-7-16/h3-11,14,18,20H,12H2,1-2H3