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

Systemtic Name: ethyl (1S,6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-4-(3-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(2-chloro-6-fluoro-phenyl)-4-(3-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(2-chloro-6-fluorophenyl)-4-(3-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(2-chloro-6-fluorophenyl)-4-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(2-chloro-6-fluoro-phenyl)-2-keto-4-(3-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H20ClFO4 MolecularWeight: 402.843203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFO4/c1-3-28-22(26)21-16(20-17(23)8-5-9-18(20)24)11-14(12-19(21)25)13-6-4-7-15(10-13)27-2/h4-10,12,16,21H,3,11H2,1-2H3/t16-,21+/m1/s1