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

Systemtic Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[2-(5-pentoxy-2-pyridyl)ethyl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[2-(5-pentoxy-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[2-(5-amoxy-2-pyridyl)ethyl]phenyl] ester Formula: C32H47NO3 MolecularWeight: 493.72048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H47NO3/c1-3-5-7-8-9-11-26-12-17-28(18-13-26)32(34)36-30-21-15-27(16-22-30)14-19-29-20-23-31(25-33-29)35-24-10-6-4-2/h15-16,20-23,25-26,28H,3-14,17-19,24H2,1-2H3