[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-24(21(14-22)9-5-4-6-10-21)18(25)13-30-19(26)12-23-20(27)15-7-8-16(28-2)17(11-15)29-3/h7-8,11H,4-6,9-10,12-13H2,1-3H3,(H,23,27)