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

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C32H47NO2 MolecularWeight: 477.72108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

InChI

InChI=1S/C32H47NO2/c1-3-5-7-8-10-11-26-13-19-29(20-14-26)32(34)35-31-23-17-27(18-24-31)15-21-30-22-16-28(25-33-30)12-9-6-4-2/h16-18,22-26,29H,3-15,19-21H2,1-2H3