2-[4-[1,3-benzodioxol-5-yl(oxidanyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[1,3-benzodioxol-5-yl(oxidanyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[1,3-benzodioxol-5-yl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[1,3-benzodioxol-5-yl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-[1,3-benzodioxol-5-yl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[1,3-benzodioxol-5-yl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C22H16N2O5 MolecularWeight: 388.37284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O)O

InChI

InChI=1S/C22H16N2O5/c25-20(14-6-8-18-19(10-14)29-11-28-18)12-1-3-13(4-2-12)21-23-16-7-5-15(22(26)27)9-17(16)24-21/h1-10,20,25H,11H2,(H,23,24)(H,26,27)