ethyl (1S,6S)-6-(2-chlorophenyl)-4-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-6-(2-chlorophenyl)-4-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(2-chlorophenyl)-2-oxo-4-(p-tolyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(2-chlorophenyl)-4-(4-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(2-chlorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(2-chlorophenyl)-2-keto-4-(p-tolyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H21ClO3 MolecularWeight: 368.85334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClO3/c1-3-26-22(25)21-18(17-6-4-5-7-19(17)23)12-16(13-20(21)24)15-10-8-14(2)9-11-15/h4-11,13,18,21H,3,12H2,1-2H3/t18-,21+/m1/s1