[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H18ClFN2O4 MolecularWeight: 428.840723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)Cl)N

InChI

InChI=1S/C22H18ClFN2O4/c1-29-19-12-18(25)17(23)11-16(19)22(28)30-20(13-5-3-2-4-6-13)21(27)26-15-9-7-14(24)8-10-15/h2-12,20H,25H2,1H3,(H,26,27)