[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropoxy)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H26N2O4/c1-15(2)12-25-17-8-6-7-16(11-17)19(24)26-13-18(23)22-20(14-21)9-4-3-5-10-20/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3,(H,22,23)