[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-acetamidobenzoate

Systemtic Name: [(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-acetamidobenzoate Openeye Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4/c1-16-13-17(2)15-22(14-16)27-24(29)23(19-7-5-4-6-8-19)31-25(30)20-9-11-21(12-10-20)26-18(3)28/h4-15,23H,1-3H3,(H,26,28)(H,27,29)/t23-/m0/s1