2-[[4-[6-[(2-carboxyphenyl)carbonylamino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[6-[(2-carboxyphenyl)carbonylamino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[6-[(2-carboxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[6-[[(2-carboxyphenyl)-oxomethyl]amino]-1H-benzimidazol-2-yl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[6-[(2-carboxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[6-[(2-carboxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoic acid Formula: C29H20N4O6 MolecularWeight: 520.4923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O)C(=O)O

InChI

InChI=1S/C29H20N4O6/c34-26(19-5-1-3-7-21(19)28(36)37)30-17-11-9-16(10-12-17)25-32-23-14-13-18(15-24(23)33-25)31-27(35)20-6-2-4-8-22(20)29(38)39/h1-15H,(H,30,34)(H,31,35)(H,32,33)(H,36,37)(H,38,39)