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

Systemtic Name: [4-(5-hexoxypyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-hexoxy-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-hexoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-hexoxypyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-hexoxy-2-pyridyl)phenyl] ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C26H37NO3/c1-4-6-7-10-19-29-24-17-18-25(27-20-24)22-13-15-23(16-14-22)30-26(28)12-9-8-11-21(3)5-2/h13-18,20-21H,4-12,19H2,1-3H3