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

Systemtic Name: ethyl (1S,6S)-4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-(4-fluorophenyl)-2-keto-6-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H21FO4 MolecularWeight: 368.398143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FO4/c1-3-27-22(25)21-19(15-6-10-18(26-2)11-7-15)12-16(13-20(21)24)14-4-8-17(23)9-5-14/h4-11,13,19,21H,3,12H2,1-2H3/t19-,21+/m1/s1