[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-24(21(14-22)7-5-4-6-8-21)18(25)13-30-19(26)12-23-20(27)15-9-16(28-2)11-17(10-15)29-3/h9-11H,4-8,12-13H2,1-3H3,(H,23,27)