[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] cyclohex-3-ene-1-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] cyclohex-3-ene-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2CCC=CC2

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2CCC=CC2

InChI

InChI=1S/C17H24N2O3/c1-13(22-16(21)14-8-4-2-5-9-14)15(20)19-17(12-18)10-6-3-7-11-17/h2,4,13-14H,3,5-11H2,1H3,(H,19,20)