[2-[3-(3-oxidanylnonyl)pyridin-4-yl]phenyl] octanoate

Systemtic Name: [2-[3-(3-oxidanylnonyl)pyridin-4-yl]phenyl] octanoate Openeye Name: [2-[3-(3-hydroxynonyl)-4-pyridyl]phenyl] octanoate CAS Name: octanoic acid [2-[3-(3-hydroxynonyl)-4-pyridinyl]phenyl] ester IUPAC Name: [2-[3-(3-hydroxynonyl)pyridin-4-yl]phenyl] octanoate Traditional Name: caprylic acid [2-[3-(3-hydroxynonyl)-4-pyridyl]phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=CC=C1C2=C(C=NC=C2)CCC(CCCCCC)O

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=CC=C1C2=C(C=NC=C2)CCC(CCCCCC)O

InChI

InChI=1S/C28H41NO3/c1-3-5-7-9-11-17-28(31)32-27-16-13-12-15-26(27)25-20-21-29-22-23(25)18-19-24(30)14-10-8-6-4-2/h12-13,15-16,20-22,24,30H,3-11,14,17-19H2,1-2H3