[2-(4-octylpyridin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(4-octylpyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-octyl-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-octylpyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-octyl-2-pyridyl)phenyl] ester Formula: C28H41NO2 MolecularWeight: 423.63064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H41NO2/c1-4-6-7-8-9-10-16-24-20-21-29-26(22-24)25-17-12-13-18-27(25)31-28(30)19-14-11-15-23(3)5-2/h12-13,17-18,20-23H,4-11,14-16,19H2,1-3H3