ethyl (1S,6S)-6-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-6-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H23FO5 MolecularWeight: 398.424123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FO5/c1-4-29-23(26)22-19(18-13-17(27-2)9-10-21(18)28-3)11-15(12-20(22)25)14-5-7-16(24)8-6-14/h5-10,12-13,19,22H,4,11H2,1-3H3/t19-,22+/m1/s1