[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octylcyclohexane-1-carboxylate

Systemtic Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octylcyclohexane-1-carboxylate Openeye Name: [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-octylcyclohexanecarboxylate CAS Name: 4-octyl-1-cyclohexanecarboxylic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octylcyclohexane-1-carboxylate Traditional Name: 4-octylcyclohexanecarboxylic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester Formula: C29H38N2O2 MolecularWeight: 446.62422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C29H38N2O2/c1-2-3-4-5-6-7-8-23-13-16-26(17-14-23)29(32)33-28-20-19-27(31-22-28)18-15-24-9-11-25(21-30)12-10-24/h9-12,19-20,22-23,26H,2-8,13-18H2,1H3