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

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] nonanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] nonanoate CAS Name: nonanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C28H41NO2 MolecularWeight: 423.63064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO2/c1-3-5-7-9-11-13-15-24-17-22-27(29-23-24)25-18-20-26(21-19-25)31-28(30)16-14-12-10-8-6-4-2/h17-23H,3-16H2,1-2H3