2-[4-carboxy-1-(phenylmethyl)benzimidazol-2-yl]-1-(phenylmethyl)benzimidazole-4-carboxylic acid

Systemtic Name: 2-[4-carboxy-1-(phenylmethyl)benzimidazol-2-yl]-1-(phenylmethyl)benzimidazole-4-carboxylic acid Openeye Name: 1-benzyl-2-(1-benzyl-4-carboxy-benzimidazol-2-yl)benzimidazole-4-carboxylic acid CAS Name: 2-[4-carboxy-1-(phenylmethyl)-2-benzimidazolyl]-1-(phenylmethyl)-4-benzimidazolecarboxylic acid IUPAC Name: 1-benzyl-2-(1-benzyl-4-carboxybenzimidazol-2-yl)benzimidazole-4-carboxylic acid Traditional Name: 1-benzyl-2-(1-benzyl-4-carboxy-benzimidazol-2-yl)benzimidazole-4-carboxylic acid Formula: C30H22N4O4 MolecularWeight: 502.52008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC(=C3N=C2C4=NC5=C(C=CC=C5N4CC6=CC=CC=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC(=C3N=C2C4=NC5=C(C=CC=C5N4CC6=CC=CC=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C30H22N4O4/c35-29(36)21-13-7-15-23-25(21)31-27(33(23)17-19-9-3-1-4-10-19)28-32-26-22(30(37)38)14-8-16-24(26)34(28)18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,35,36)(H,37,38)