[2-(4-undecylpyridin-2-yl)phenyl] 2-methylbutanoate

Systemtic Name: [2-(4-undecylpyridin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(4-undecyl-2-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-undecyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-(4-undecylpyridin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-undecyl-2-pyridyl)phenyl] ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

InChI=1S/C27H39NO2/c1-4-6-7-8-9-10-11-12-13-16-23-19-20-28-25(21-23)24-17-14-15-18-26(24)30-27(29)22(3)5-2/h14-15,17-22H,4-13,16H2,1-3H3