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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClO3/c1-3-26-22(25)21-19(16-8-10-18(23)11-9-16)12-17(13-20(21)24)15-6-4-14(2)5-7-15/h4-11,13,19,21H,3,12H2,1-2H3/t19-,21-/m0/s1