2-[4-[[6-(hydroxymethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[6-(hydroxymethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(hydroxymethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-(hydroxymethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(hydroxymethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-methylol-1H-benzimidazol-2-yl)methyl]phenyl]benzoic acid Formula: C22H18N2O3 MolecularWeight: 358.38992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CC3=NC4=C(N3)C=C(C=C4)CO)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CC3=NC4=C(N3)C=C(C=C4)CO)C(=O)O

InChI

InChI=1S/C22H18N2O3/c25-13-15-7-10-19-20(11-15)24-21(23-19)12-14-5-8-16(9-6-14)17-3-1-2-4-18(17)22(26)27/h1-11,25H,12-13H2,(H,23,24)(H,26,27)