2-(pyridin-3-ylmethyl)-1-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzimidazole-4-carboxylic acid

Systemtic Name: 2-(pyridin-3-ylmethyl)-1-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzimidazole-4-carboxylic acid Openeye Name: 2-(3-pyridylmethyl)-1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazole-4-carboxylic acid CAS Name: 2-(3-pyridinylmethyl)-1-[2-(2H-tetrazol-5-yl)phenyl]-4-benzimidazolecarboxylic acid IUPAC Name: 2-(pyridin-3-ylmethyl)-1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazole-4-carboxylic acid Traditional Name: 2-(3-pyridylmethyl)-1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazole-4-carboxylic acid Formula: C21H15N7O2 MolecularWeight: 397.3895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNN=N2)N3C4=CC=CC(=C4N=C3CC5=CN=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNN=N2)N3C4=CC=CC(=C4N=C3CC5=CN=CC=C5)C(=O)O

InChI

InChI=1S/C21H15N7O2/c29-21(30)15-7-3-9-17-19(15)23-18(11-13-5-4-10-22-12-13)28(17)16-8-2-1-6-14(16)20-24-26-27-25-20/h1-10,12H,11H2,(H,29,30)(H,24,25,26,27)