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

Systemtic Name: [2-(3-nonoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(3-nonoxy-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(3-nonoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-nonoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(3-nonoxy-4-pyridyl)phenyl] ester Formula: C29H43NO3 MolecularWeight: 453.65662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C29H43NO3/c1-4-6-7-8-9-10-15-22-32-28-23-30-21-20-26(28)25-17-12-13-18-27(25)33-29(31)19-14-11-16-24(3)5-2/h12-13,17-18,20-21,23-24H,4-11,14-16,19,22H2,1-3H3