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

Systemtic Name: [2-(3-octoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(3-octoxy-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(3-octoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-octoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(3-octoxy-4-pyridyl)phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H41NO3/c1-4-6-7-8-9-14-21-31-27-22-29-20-19-25(27)24-16-11-12-17-26(24)32-28(30)18-13-10-15-23(3)5-2/h11-12,16-17,19-20,22-23H,4-10,13-15,18,21H2,1-3H3