[2-(4-dodecylpyridin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(4-dodecylpyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-dodecyl-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-dodecyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-dodecylpyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-lauryl-2-pyridyl)phenyl] ester Formula: C32H49NO2 MolecularWeight: 479.73696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C32H49NO2/c1-4-6-7-8-9-10-11-12-13-14-20-28-24-25-33-30(26-28)29-21-16-17-22-31(29)35-32(34)23-18-15-19-27(3)5-2/h16-17,21-22,24-27H,4-15,18-20,23H2,1-3H3