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

Systemtic Name: [4-(5-heptoxypyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-heptoxy-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-heptoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-heptoxy-2-pyridyl)phenyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-11-20-30-25-18-19-26(28-21-25)23-14-16-24(17-15-23)31-27(29)13-10-9-12-22(3)5-2/h14-19,21-22H,4-13,20H2,1-3H3