1-(2-fluoranylhexanoyl)-4-[4-(5-pentylpyridin-2-yl)phenyl]cyclohexan-1-olate

Systemtic Name: 1-(2-fluoranylhexanoyl)-4-[4-(5-pentylpyridin-2-yl)phenyl]cyclohexan-1-olate Openeye Name: 1-(2-fluorohexanoyl)-4-[4-(5-pentyl-2-pyridyl)phenyl]cyclohexanolate CAS Name: 1-(2-fluoro-1-oxohexyl)-4-[4-(5-pentyl-2-pyridinyl)phenyl]-1-cyclohexanolate IUPAC Name: 1-(2-fluorohexanoyl)-4-[4-(5-pentylpyridin-2-yl)phenyl]cyclohexan-1-olate Traditional Name: 4-[4-(5-amyl-2-pyridyl)phenyl]-1-(2-fluorohexanoyl)cyclohexanolate Formula: C28H37FNO2- MolecularWeight: 438.597283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

InChI

InChI=1S/C28H37FNO2/c1-3-5-7-8-21-10-15-26(30-20-21)24-13-11-22(12-14-24)23-16-18-28(32,19-17-23)27(31)25(29)9-6-4-2/h10-15,20,23,25H,3-9,16-19H2,1-2H3/q-1