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

Systemtic Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [4-[2-(5-pentoxy-2-pyridyl)ethyl]phenyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [4-[2-(5-pentoxy-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [4-[2-(5-amoxy-2-pyridyl)ethyl]phenyl] ester Formula: C31H45NO3 MolecularWeight: 479.6939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO3/c1-3-5-7-8-10-25-11-16-27(17-12-25)31(33)35-29-20-14-26(15-21-29)13-18-28-19-22-30(24-32-28)34-23-9-6-4-2/h14-15,19-22,24-25,27H,3-13,16-18,23H2,1-2H3