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

Systemtic Name: 4-[4-(5-butylpyridin-2-yl)phenyl]-1-(2-fluoranylhexanoyl)cyclohexan-1-olate Openeye Name: 4-[4-(5-butyl-2-pyridyl)phenyl]-1-(2-fluorohexanoyl)cyclohexanolate CAS Name: 4-[4-(5-butyl-2-pyridinyl)phenyl]-1-(2-fluoro-1-oxohexyl)-1-cyclohexanolate IUPAC Name: 4-[4-(5-butylpyridin-2-yl)phenyl]-1-(2-fluorohexanoyl)cyclohexan-1-olate Traditional Name: 4-[4-(5-butyl-2-pyridyl)phenyl]-1-(2-fluorohexanoyl)cyclohexanolate Formula: C27H35FNO2- MolecularWeight: 424.570703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

Isomeric SMILES

CCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

InChI

InChI=1S/C27H35FNO2/c1-3-5-7-20-9-14-25(29-19-20)23-12-10-21(11-13-23)22-15-17-27(31,18-16-22)26(30)24(28)8-6-4-2/h9-14,19,22,24H,3-8,15-18H2,1-2H3/q-1