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

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-hexoxybenzoate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C31H39NO3 MolecularWeight: 473.64626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

InChI

InChI=1S/C31H39NO3/c1-3-5-7-9-23-34-29-21-15-27(16-22-29)31(33)35-30-19-13-25(14-20-30)11-17-28-18-12-26(24-32-28)10-8-6-4-2/h12-16,18-22,24H,3-11,17,23H2,1-2H3