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

Systemtic Name: [2-(4-hexylpyridin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-hexyl-2-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-hexyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-hexylpyridin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-hexyl-2-pyridyl)phenyl] ester Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C26H37NO2/c1-4-6-7-8-14-22-18-19-27-24(20-22)23-15-10-11-16-25(23)29-26(28)17-12-9-13-21(3)5-2/h10-11,15-16,18-21H,4-9,12-14,17H2,1-3H3