3-[[4-(dihydroxyboranyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylic acid

Systemtic Name: 3-[[4-(dihydroxyboranyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylic acid Openeye Name: 3-[(4-boronophenyl)methyl]-2-ethoxy-benzimidazole-4-carboxylic acid CAS Name: 3-[(4-boronophenyl)methyl]-2-ethoxy-4-benzimidazolecarboxylic acid IUPAC Name: 3-[(4-boronophenyl)methyl]-2-ethoxybenzimidazole-4-carboxylic acid Traditional Name: 3-(4-boronobenzyl)-2-ethoxy-benzimidazole-4-carboxylic acid Formula: C17H17BN2O5 MolecularWeight: 340.13828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN2C3=C(C=CC=C3N=C2OCC)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2C3=C(C=CC=C3N=C2OCC)C(=O)O)(O)O

InChI

InChI=1S/C17H17BN2O5/c1-2-25-17-19-14-5-3-4-13(16(21)22)15(14)20(17)10-11-6-8-12(9-7-11)18(23)24/h3-9,23-24H,2,10H2,1H3,(H,21,22)