[4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-hexylcyclohexane-1-carboxylate

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C31H45NO2 MolecularWeight: 463.6945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

InChI

InChI=1S/C31H45NO2/c1-3-5-7-9-10-25-12-18-28(19-13-25)31(33)34-30-22-16-26(17-23-30)14-20-29-21-15-27(24-32-29)11-8-6-4-2/h15-17,21-25,28H,3-14,18-20H2,1-2H3