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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

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