2-[5-(2H-1,2,3,4-tetrazol-5-yl)benzimidazol-1-yl]octanoic acid

Systemtic Name: 2-[5-(2H-1,2,3,4-tetrazol-5-yl)benzimidazol-1-yl]octanoic acid Openeye Name: 2-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]octanoic acid CAS Name: 2-[5-(2H-tetrazol-5-yl)-1-benzimidazolyl]octanoic acid IUPAC Name: 2-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]octanoic acid Traditional Name: 2-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]caprylic acid Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=NC2=C1C=CC(=C2)C3=NNN=N3

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=NC2=C1C=CC(=C2)C3=NNN=N3

InChI

InChI=1S/C16H20N6O2/c1-2-3-4-5-6-14(16(23)24)22-10-17-12-9-11(7-8-13(12)22)15-18-20-21-19-15/h7-10,14H,2-6H2,1H3,(H,23,24)(H,18,19,20,21)