[4-(5-heptylpyridin-2-yl)phenyl] octanoate

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] octanoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] octanoate CAS Name: octanoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

InChI

InChI=1S/C26H37NO2/c1-3-5-7-9-11-13-22-15-20-25(27-21-22)23-16-18-24(19-17-23)29-26(28)14-12-10-8-6-4-2/h15-21H,3-14H2,1-2H3