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

Systemtic Name: ethyl (1S,6S)-6-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H24FNO3 MolecularWeight: 381.439963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO3/c1-4-28-23(27)22-20(16-7-11-19(12-8-16)25(2)3)13-17(14-21(22)26)15-5-9-18(24)10-6-15/h5-12,14,20,22H,4,13H2,1-3H3/t20-,22+/m1/s1