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

Systemtic Name: ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-fluorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-fluorophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(4-ethylphenyl)-4-(4-fluorophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(4-ethylphenyl)-4-(4-fluorophenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H23FO3 MolecularWeight: 366.425323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC(=CC(=O)[C@H]2C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FO3/c1-3-15-5-7-17(8-6-15)20-13-18(16-9-11-19(24)12-10-16)14-21(25)22(20)23(26)27-4-2/h5-12,14,20,22H,3-4,13H2,1-2H3/t20-,22+/m1/s1