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

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)CC

InChI

InChI=1S/C23H31NO2/c1-4-6-7-8-9-10-19-11-16-22(24-17-19)20-12-14-21(15-13-20)26-23(25)18(3)5-2/h11-18H,4-10H2,1-3H3