[2-(4-hexylpyridin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [2-(4-hexylpyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-hexyl-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-hexyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-hexylpyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-hexyl-2-pyridyl)phenyl] ester Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO2/c1-4-6-7-8-11-20-16-17-25-22(18-20)21-12-9-10-13-23(21)27-24(26)15-14-19(3)5-2/h9-10,12-13,16-19H,4-8,11,14-15H2,1-3H3