[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-phenyl-propanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl] 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic acid [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CC(C1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)COC(=O)CC(C1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C19H25N3O4/c1-13(2)19(4,12-20)22-17(24)11-26-18(25)10-16(21-14(3)23)15-8-6-5-7-9-15/h5-9,13,16H,10-11H2,1-4H3,(H,21,23)(H,22,24)