ethyl (1S,6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-4-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-4-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(2-chloro-6-fluoro-phenyl)-2-oxo-4-(p-tolyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(2-chloro-6-fluoro-phenyl)-2-keto-4-(p-tolyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H20ClFO3 MolecularWeight: 386.843803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)C)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H20ClFO3/c1-3-27-22(26)21-16(20-17(23)5-4-6-18(20)24)11-15(12-19(21)25)14-9-7-13(2)8-10-14/h4-10,12,16,21H,3,11H2,1-2H3/t16-,21+/m1/s1