[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-fluoranylbenzoate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-fluoranylbenzoate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17ClFNO4 MolecularWeight: 413.826083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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