2-[4-[[2-butyl-5-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-5-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-methylol-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)CO

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)CO

InChI

InChI=1S/C26H26N2O3/c1-2-3-8-25-27-23-15-19(17-29)11-14-24(23)28(25)16-18-9-12-20(13-10-18)21-6-4-5-7-22(21)26(30)31/h4-7,9-15,29H,2-3,8,16-17H2,1H3,(H,30,31)