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

Systemtic Name: [2-(4-undecylpyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-undecyl-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-undecyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-undecylpyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-undecyl-2-pyridyl)phenyl] ester Formula: C31H47NO2 MolecularWeight: 465.71038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H47NO2/c1-4-6-7-8-9-10-11-12-13-19-27-23-24-32-29(25-27)28-20-15-16-21-30(28)34-31(33)22-17-14-18-26(3)5-2/h15-16,20-21,23-26H,4-14,17-19,22H2,1-3H3