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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-15(2)19(24-20(27)17-9-7-8-16(3)12-17)21(28)29-13-18(26)25-22(14-23)10-5-4-6-11-22/h7-9,12,15,19H,4-6,10-11,13H2,1-3H3,(H,24,27)(H,25,26)