[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-13(2)17(23-19(26)16-10-8-7-9-11-16)20(27)28-15(5)18(25)24-21(6,12-22)14(3)4/h7-11,13-15,17H,1-6H3,(H,23,26)(H,24,25)