2-(benzimidazol-1-ylcarbonyl)-3-[2-(benzimidazol-1-ylcarbonyl)-3-carboxy-phenyl]carbonyl-benzoic acid

Systemtic Name: 2-(benzimidazol-1-ylcarbonyl)-3-[2-(benzimidazol-1-ylcarbonyl)-3-carboxy-phenyl]carbonyl-benzoic acid Openeye Name: 2-(benzimidazole-1-carbonyl)-3-[2-(benzimidazole-1-carbonyl)-3-carboxy-benzoyl]benzoic acid CAS Name: 2-[1-benzimidazolyl(oxo)methyl]-3-[[2-[1-benzimidazolyl(oxo)methyl]-3-carboxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-(benzimidazole-1-carbonyl)-3-[2-(benzimidazole-1-carbonyl)-3-carboxybenzoyl]benzoic acid Traditional Name: 2-(benzimidazole-1-carbonyl)-3-[2-(benzimidazole-1-carbonyl)-3-carboxy-benzoyl]benzoic acid Formula: C31H18N4O7 MolecularWeight: 558.49722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C(=O)C3=C(C=CC=C3C(=O)O)C(=O)C4=C(C(=CC=C4)C(=O)O)C(=O)N5C=NC6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C(=O)C3=C(C=CC=C3C(=O)O)C(=O)C4=C(C(=CC=C4)C(=O)O)C(=O)N5C=NC6=CC=CC=C65

InChI

InChI=1S/C31H18N4O7/c36-27(17-7-5-9-19(30(39)40)25(17)28(37)34-15-32-21-11-1-3-13-23(21)34)18-8-6-10-20(31(41)42)26(18)29(38)35-16-33-22-12-2-4-14-24(22)35/h1-16H,(H,39,40)(H,41,42)