[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl] 3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic 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-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(o-toluoylamino)butyric acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C21H29N3O4/c1-13(2)18(23-19(26)16-10-8-7-9-15(16)5)20(27)28-11-17(25)24-21(6,12-22)14(3)4/h7-10,13-14,18H,11H2,1-6H3,(H,23,26)(H,24,25)