[5-(benzimidazol-1-yl)-2-(3-fluoranyl-4-methoxy-phenyl)pentyl]boronic acid

Systemtic Name: [5-(benzimidazol-1-yl)-2-(3-fluoranyl-4-methoxy-phenyl)pentyl]boronic acid Openeye Name: [5-(benzimidazol-1-yl)-2-(3-fluoro-4-methoxy-phenyl)pentyl]boronic acid CAS Name: [5-(1-benzimidazolyl)-2-(3-fluoro-4-methoxyphenyl)pentyl]boronic acid IUPAC Name: [5-(benzimidazol-1-yl)-2-(3-fluoro-4-methoxyphenyl)pentyl]boronic acid Traditional Name: [5-(benzimidazol-1-yl)-2-(3-fluoro-4-methoxy-phenyl)pentyl]boronic acid Formula: C19H22BFN2O3 MolecularWeight: 356.198983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(CC(CCCN1C=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)F)(O)O

Isomeric SMILES

B(CC(CCCN1C=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)F)(O)O

InChI

InChI=1S/C19H22BFN2O3/c1-26-19-9-8-14(11-16(19)21)15(12-20(24)25)5-4-10-23-13-22-17-6-2-3-7-18(17)23/h2-3,6-9,11,13,15,24-25H,4-5,10,12H2,1H3