[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C23H31N3O4/c1-15(2)19(25-21(28)18-10-8-9-16(3)13-18)22(29)30-17(4)20(27)26-23(14-24)11-6-5-7-12-23/h8-10,13,15,17,19H,5-7,11-12H2,1-4H3,(H,25,28)(H,26,27)