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

Systemtic Name: [4-(5-pentoxypyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-pentoxy-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-pentoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-pentoxypyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-amoxy-2-pyridyl)phenyl] ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C25H35NO3/c1-4-6-9-18-28-23-16-17-24(26-19-23)21-12-14-22(15-13-21)29-25(27)11-8-7-10-20(3)5-2/h12-17,19-20H,4-11,18H2,1-3H3