[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H22FNO4 MolecularWeight: 407.434183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C24H22FNO4/c1-15-9-10-16(2)21(13-15)26-23(27)22(17-7-5-4-6-8-17)30-24(28)19-12-11-18(29-3)14-20(19)25/h4-14,22H,1-3H3,(H,26,27)/t22-/m0/s1