ethyl 6-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 6-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 6-(2-chlorophenyl)-2-keto-4-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClO4/c1-3-27-22(25)21-18(17-6-4-5-7-19(17)23)12-15(13-20(21)24)14-8-10-16(26-2)11-9-14/h4-11,13,18,21H,3,12H2,1-2H3