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

Systemtic Name: ethyl (1S,6S)-6-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-(4-fluorophenyl)-2-keto-6-o-phenetyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H23FO4 MolecularWeight: 382.424723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2CC(=CC(=O)C2C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2CC(=CC(=O)[C@H]2C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FO4/c1-3-27-21-8-6-5-7-18(21)19-13-16(15-9-11-17(24)12-10-15)14-20(25)22(19)23(26)28-4-2/h5-12,14,19,22H,3-4,13H2,1-2H3/t19-,22+/m1/s1