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

Systemtic Name: [2-(4-heptylpyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-heptyl-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-heptylpyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-heptyl-2-pyridyl)phenyl] ester Formula: C25H35NO2 MolecularWeight: 381.5509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO2/c1-4-6-7-8-9-12-21-17-18-26-23(19-21)22-13-10-11-14-24(22)28-25(27)16-15-20(3)5-2/h10-11,13-14,17-20H,4-9,12,15-16H2,1-3H3