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

Systemtic Name: [(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C23H20FNO5 MolecularWeight: 409.407003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC)F

InChI

InChI=1S/C23H20FNO5/c1-28-17-10-6-9-16(13-17)25-22(26)21(15-7-4-3-5-8-15)30-23(27)19-12-11-18(29-2)14-20(19)24/h3-14,21H,1-2H3,(H,25,26)/t21-/m0/s1