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

Systemtic Name: [2-(4-pentylpyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-pentyl-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-pentyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-pentylpyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-amyl-2-pyridyl)phenyl] ester Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C23H31NO2/c1-4-6-7-10-19-15-16-24-21(17-19)20-11-8-9-12-22(20)26-23(25)14-13-18(3)5-2/h8-9,11-12,15-18H,4-7,10,13-14H2,1-3H3