[(1R)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(1R)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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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)CC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O4/c1-17-14-18(2)16-22(15-17)29-25(31)24(19-6-4-3-5-7-19)33-26(32)20-8-10-21(11-9-20)28-23(30)12-13-27/h3-11,14-16,24H,12H2,1-2H3,(H,28,30)(H,29,31)/t24-/m1/s1