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

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] dodecanoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] dodecanoate CAS Name: dodecanoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] dodecanoate Traditional Name: lauric acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C30H45NO2 MolecularWeight: 451.6838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45NO2/c1-3-5-7-9-10-11-12-14-16-18-30(32)33-28-22-20-27(21-23-28)29-24-19-26(25-31-29)17-15-13-8-6-4-2/h19-25H,3-18H2,1-2H3