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

Systemtic Name: ethyl 2-(4-chlorophenyl)-3-cyano-4-oxidanyl-6-oxidanylidene-4-phenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-3-cyano-4-hydroxy-6-oxo-4-phenyl-cyclohexanecarboxylate CAS Name: 2-(4-chlorophenyl)-3-cyano-4-hydroxy-6-oxo-4-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-3-cyano-4-hydroxy-6-oxo-4-phenylcyclohexane-1-carboxylate Traditional Name: 2-(4-chlorophenyl)-3-cyano-4-hydroxy-6-keto-4-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO4/c1-2-28-21(26)20-18(25)12-22(27,15-6-4-3-5-7-15)17(13-24)19(20)14-8-10-16(23)11-9-14/h3-11,17,19-20,27H,2,12H2,1H3