[4-(5-nonoxypyridin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [4-(5-nonoxypyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-nonoxy-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-nonoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-nonoxypyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-nonoxy-2-pyridyl)phenyl] ester Formula: C29H43NO3 MolecularWeight: 453.65662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43NO3/c1-4-6-7-8-9-10-13-22-32-27-20-21-28(30-23-27)25-16-18-26(19-17-25)33-29(31)15-12-11-14-24(3)5-2/h16-21,23-24H,4-15,22H2,1-3H3