[4-(5-octylpyridin-2-yl)phenyl] heptanoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] heptanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] heptanoate CAS Name: heptanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCC

InChI

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