2-[4-[(3-bromanyl-4,5-dimethoxy-phenyl)-oxidanyl-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[(3-bromanyl-4,5-dimethoxy-phenyl)-oxidanyl-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[(3-bromo-4,5-dimethoxy-phenyl)-hydroxy-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(3-bromo-4,5-dimethoxyphenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-[(3-bromo-4,5-dimethoxyphenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[(3-bromo-4,5-dimethoxy-phenyl)-hydroxy-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C23H19BrN2O5 MolecularWeight: 483.31136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)O)Br)OC

InChI

InChI=1S/C23H19BrN2O5/c1-30-19-11-15(9-16(24)21(19)31-2)20(27)12-3-5-13(6-4-12)22-25-17-8-7-14(23(28)29)10-18(17)26-22/h3-11,20,27H,1-2H3,(H,25,26)(H,28,29)