[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-[(2-methylbenzoyl)amino]acetate CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]acetic 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-[(2-methylbenzoyl)amino]acetate Traditional Name: 2-(o-toluoylamino)acetic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C19H25N3O4/c1-12(2)19(5,11-20)22-17(24)14(4)26-16(23)10-21-18(25)15-9-7-6-8-13(15)3/h6-9,12,14H,10H2,1-5H3,(H,21,25)(H,22,24)