[2-fluoranyl-4-(5-hexylpyridin-2-yl)phenyl] 2-methylbutanoate

Systemtic Name: [2-fluoranyl-4-(5-hexylpyridin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [2-fluoro-4-(5-hexyl-2-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-fluoro-4-(5-hexyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(5-hexylpyridin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-fluoro-4-(5-hexyl-2-pyridyl)phenyl] ester Formula: C22H28FNO2 MolecularWeight: 357.461623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

InChI

InChI=1S/C22H28FNO2/c1-4-6-7-8-9-17-10-12-20(24-15-17)18-11-13-21(19(23)14-18)26-22(25)16(3)5-2/h10-16H,4-9H2,1-3H3