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

Systemtic Name: [2-(4-heptylpyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-heptyl-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-heptylpyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-heptyl-2-pyridyl)phenyl] ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C27H39NO2/c1-4-6-7-8-9-15-23-19-20-28-25(21-23)24-16-11-12-17-26(24)30-27(29)18-13-10-14-22(3)5-2/h11-12,16-17,19-22H,4-10,13-15,18H2,1-3H3