ethyl 4-[(3-fluorophenyl)amino]-6-(3-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)amino]-6-(3-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(3-fluoroanilino)-6-(3-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(3-fluoroanilino)-6-(3-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-fluoroanilino)-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(3-fluoroanilino)-2-keto-6-(3-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H22FNO4 MolecularWeight: 383.412783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=CC(=CC=C2)F)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)NC2=CC(=CC=C2)F)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H22FNO4/c1-3-28-22(26)21-19(14-6-4-9-18(10-14)27-2)12-17(13-20(21)25)24-16-8-5-7-15(23)11-16/h4-11,13,19,21,24H,3,12H2,1-2H3