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

Systemtic Name: [2-(4-nonylpyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-nonyl-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-nonyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-nonylpyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-nonyl-2-pyridyl)phenyl] ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C27H39NO2/c1-4-6-7-8-9-10-11-14-23-19-20-28-25(21-23)24-15-12-13-16-26(24)30-27(29)18-17-22(3)5-2/h12-13,15-16,19-22H,4-11,14,17-18H2,1-3H3