[2-(3-undecoxypyridin-4-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(3-undecoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(3-undecoxy-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(3-undecoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-undecoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(3-undecoxy-4-pyridyl)phenyl] ester Formula: C31H47NO3 MolecularWeight: 481.70978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H47NO3/c1-4-6-7-8-9-10-11-12-17-24-34-30-25-32-23-22-28(30)27-19-14-15-20-29(27)35-31(33)21-16-13-18-26(3)5-2/h14-15,19-20,22-23,25-26H,4-13,16-18,21,24H2,1-3H3