(phenylmethyl) 4-(cyanomethyl)-4-cyclohexyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(cyanomethyl)-4-cyclohexyl-piperidine-1-carboxylate Openeye Name: benzyl 4-(cyanomethyl)-4-cyclohexyl-piperidine-1-carboxylate CAS Name: 4-(cyanomethyl)-4-cyclohexyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(cyanomethyl)-4-cyclohexylpiperidine-1-carboxylate Traditional Name: 4-(cyanomethyl)-4-cyclohexyl-piperidine-1-carboxylic acid benzyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)CC#N

Isomeric SMILES

C1CCC(CC1)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C21H28N2O2/c22-14-11-21(19-9-5-2-6-10-19)12-15-23(16-13-21)20(24)25-17-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-13,15-17H2