[4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-hexylbenzoate

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-hexylbenzoate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C31H39NO2 MolecularWeight: 457.64686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

InChI

InChI=1S/C31H39NO2/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/h12-13,15-19,21-24H,3-11,14,20H2,1-2H3