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

Systemtic Name: [(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-cyanobenzoate Openeye Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H20N2O3 MolecularWeight: 384.4272

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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)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O3/c1-16-12-17(2)14-21(13-16)26-23(27)22(19-6-4-3-5-7-19)29-24(28)20-10-8-18(15-25)9-11-20/h3-14,22H,1-2H3,(H,26,27)/t22-/m0/s1