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

Systemtic Name: [2-(4-butylpyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-butyl-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-butyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-butylpyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-butyl-2-pyridyl)phenyl] ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C22H29NO2/c1-4-6-9-18-14-15-23-20(16-18)19-10-7-8-11-21(19)25-22(24)13-12-17(3)5-2/h7-8,10-11,14-17H,4-6,9,12-13H2,1-3H3