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

Systemtic Name: ethyl (1S,6S)-4-(4-fluorophenyl)-6-(2-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4-(4-fluorophenyl)-6-(o-tolyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(4-fluorophenyl)-6-(2-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(4-fluorophenyl)-6-(2-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-(4-fluorophenyl)-2-keto-6-(o-tolyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H21FO3 MolecularWeight: 352.398743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)F)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)F)C3=CC=CC=C3C

InChI

InChI=1S/C22H21FO3/c1-3-26-22(25)21-19(18-7-5-4-6-14(18)2)12-16(13-20(21)24)15-8-10-17(23)11-9-15/h4-11,13,19,21H,3,12H2,1-2H3/t19-,21+/m1/s1