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

Systemtic Name: [2-(4-octylpyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-octyl-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-octylpyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-octyl-2-pyridyl)phenyl] ester Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C26H37NO2/c1-4-6-7-8-9-10-13-22-18-19-27-24(20-22)23-14-11-12-15-25(23)29-26(28)17-16-21(3)5-2/h11-12,14-15,18-21H,4-10,13,16-17H2,1-3H3