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

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] dodecanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] dodecanoate CAS Name: dodecanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] dodecanoate Traditional Name: lauric acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C31H47NO2 MolecularWeight: 465.71038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=C2)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=C2)CCCCCCCC

InChI

InChI=1S/C31H47NO2/c1-3-5-7-9-11-12-13-15-17-19-31(33)34-29-23-21-28(22-24-29)30-25-20-27(26-32-30)18-16-14-10-8-6-4-2/h20-26H,3-19H2,1-2H3