[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C22H17ClFNO4 MolecularWeight: 413.826083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H17ClFNO4/c1-28-17-9-5-8-16(13-17)25-21(26)20(14-6-3-2-4-7-14)29-22(27)18-11-10-15(24)12-19(18)23/h2-13,20H,1H3,(H,25,26)/t20-/m0/s1