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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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