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

Systemtic Name: [2-(4-decylpyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-decyl-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-decyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-decylpyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-decyl-2-pyridyl)phenyl] ester Formula: C28H41NO2 MolecularWeight: 423.63064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C28H41NO2/c1-4-6-7-8-9-10-11-12-15-24-20-21-29-26(22-24)25-16-13-14-17-27(25)31-28(30)19-18-23(3)5-2/h13-14,16-17,20-23H,4-12,15,18-19H2,1-3H3