[4-[6-(4-heptylphenyl)pyridin-3-yl]phenyl] 5-methylheptanoate

Systemtic Name: [4-[6-(4-heptylphenyl)pyridin-3-yl]phenyl] 5-methylheptanoate Openeye Name: [4-[6-(4-heptylphenyl)-3-pyridyl]phenyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [4-[6-(4-heptylphenyl)-3-pyridinyl]phenyl] ester IUPAC Name: [4-[6-(4-heptylphenyl)pyridin-3-yl]phenyl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [4-[6-(4-heptylphenyl)-3-pyridyl]phenyl] ester Formula: C32H41NO2 MolecularWeight: 471.67344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

InChI

InChI=1S/C32H41NO2/c1-4-6-7-8-9-12-26-14-16-28(17-15-26)31-23-20-29(24-33-31)27-18-21-30(22-19-27)35-32(34)13-10-11-25(3)5-2/h14-25H,4-13H2,1-3H3