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

Systemtic Name: [2-(3-pentoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(3-pentoxy-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(3-pentoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-pentoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(3-amoxy-4-pyridyl)phenyl] ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C25H35NO3/c1-4-6-11-18-28-24-19-26-17-16-22(24)21-13-8-9-14-23(21)29-25(27)15-10-7-12-20(3)5-2/h8-9,13-14,16-17,19-20H,4-7,10-12,15,18H2,1-3H3