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

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] nonanoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] nonanoate CAS Name: nonanoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=C2)CCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=C2)CCCCCCC

InChI

InChI=1S/C27H39NO2/c1-3-5-7-9-11-13-15-27(29)30-25-19-17-24(18-20-25)26-21-16-23(22-28-26)14-12-10-8-6-4-2/h16-22H,3-15H2,1-2H3