4-[3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 4-[3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propoxy]benzoic acid Openeye Name: 4-[3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propoxy]benzoic acid CAS Name: 4-[3-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-2-hydroxypropoxy]benzoic acid IUPAC Name: 4-[3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxypropoxy]benzoic acid Traditional Name: 4-[2-hydroxy-3-(2-veratrylbenzimidazol-1-yl)propoxy]benzoic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(COC4=CC=C(C=C4)C(=O)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(COC4=CC=C(C=C4)C(=O)O)O)OC

InChI

InChI=1S/C26H26N2O6/c1-32-23-12-7-17(13-24(23)33-2)14-25-27-21-5-3-4-6-22(21)28(25)15-19(29)16-34-20-10-8-18(9-11-20)26(30)31/h3-13,19,29H,14-16H2,1-2H3,(H,30,31)