[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H22N2O3/c1-12-6-3-4-9-16(12)20-17(21)13(2)23-18(22)15-8-5-7-14(10-15)11-19/h5,7-8,10,12-13,16H,3-4,6,9H2,1-2H3,(H,20,21)