[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]acetate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate Traditional Name: 2-[(4-chlorobenzoyl)amino]acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)Cl)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)Cl)C2(CCCCC2)C#N

InChI

InChI=1S/C19H22ClN3O4/c1-23(19(13-21)9-3-2-4-10-19)16(24)12-27-17(25)11-22-18(26)14-5-7-15(20)8-6-14/h5-8H,2-4,9-12H2,1H3,(H,22,26)