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

Systemtic Name: [4-(5-octoxypyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-octoxy-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-octoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-octoxy-2-pyridyl)phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3/c1-4-6-7-8-9-12-21-31-26-19-20-27(29-22-26)24-15-17-25(18-16-24)32-28(30)14-11-10-13-23(3)5-2/h15-20,22-23H,4-14,21H2,1-3H3