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

Systemtic Name: [2-fluoranyl-4-(5-nonylpyridin-2-yl)phenyl] (2S)-2-methylbutanoate Openeye Name: [2-fluoro-4-(5-nonyl-2-pyridyl)phenyl] (2S)-2-methylbutanoate CAS Name: (2S)-2-methylbutanoic acid [2-fluoro-4-(5-nonyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(5-nonylpyridin-2-yl)phenyl] (2S)-2-methylbutanoate Traditional Name: (2S)-2-methylbutyric acid [2-fluoro-4-(5-nonyl-2-pyridyl)phenyl] ester Formula: C25H34FNO2 MolecularWeight: 399.541363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OC(=O)[C@@H](C)CC)F

InChI

InChI=1S/C25H34FNO2/c1-4-6-7-8-9-10-11-12-20-13-15-23(27-18-20)21-14-16-24(22(26)17-21)29-25(28)19(3)5-2/h13-19H,4-12H2,1-3H3/t19-/m0/s1