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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H27N3O3/c1-2-3-13-22-17-10-6-5-9-16(17)19(25)26-14-18(24)23-20(15-21)11-7-4-8-12-20/h5-6,9-10,22H,2-4,7-8,11-14H2,1H3,(H,23,24)