[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-14-9-15(2)11-17(10-14)20(27)23-12-18(25)28-16(3)19(26)24-21(13-22)7-5-4-6-8-21/h9-11,16H,4-8,12H2,1-3H3,(H,23,27)(H,24,26)