[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C19H17N3O4/c1-13(18(24)22-15-5-3-2-4-6-15)26-19(25)14-7-9-16(10-8-14)21-17(23)11-12-20/h2-10,13H,11H2,1H3,(H,21,23)(H,22,24)/t13-/m1/s1