(4-cyano-3-fluoranyl-phenyl) 2-fluoranyl-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 2-fluoranyl-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoate CAS Name: 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3,2-dioxaborinan-2-yl)-2-fluoro-benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C22H22BF2NO4 MolecularWeight: 413.222186

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)CCCCC)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F

Isomeric SMILES

B1(OCC(CO1)CCCCC)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F

InChI

InChI=1S/C22H22BF2NO4/c1-2-3-4-5-15-13-28-23(29-14-15)17-7-9-19(21(25)10-17)22(27)30-18-8-6-16(12-26)20(24)11-18/h6-11,15H,2-5,13-14H2,1H3