[4-(5-undecylpyridin-2-yl)phenyl] 2-methylbutanoate

Systemtic Name: [4-(5-undecylpyridin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [4-(5-undecyl-2-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(5-undecyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyridin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(5-undecyl-2-pyridyl)phenyl] ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)CC

InChI

InChI=1S/C27H39NO2/c1-4-6-7-8-9-10-11-12-13-14-23-15-20-26(28-21-23)24-16-18-25(19-17-24)30-27(29)22(3)5-2/h15-22H,4-14H2,1-3H3