octan-2-yl 4-[6-(4-hexylphenyl)pyridin-3-yl]benzoate

Systemtic Name: octan-2-yl 4-[6-(4-hexylphenyl)pyridin-3-yl]benzoate Openeye Name: 1-methylheptyl 4-[6-(4-hexylphenyl)-3-pyridyl]benzoate CAS Name: 4-[6-(4-hexylphenyl)-3-pyridinyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[6-(4-hexylphenyl)pyridin-3-yl]benzoate Traditional Name: 4-[6-(4-hexylphenyl)-3-pyridyl]benzoic acid 1-methylheptyl ester Formula: C32H41NO2 MolecularWeight: 471.67344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)CCCCCC

InChI

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