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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=NNN=N1)(C(=O)O)N2C=NC3=CC=CC=C32

Isomeric SMILES

CCCCCCC(C1=NNN=N1)(C(=O)O)N2C=NC3=CC=CC=C32

InChI

InChI=1S/C16H20N6O2/c1-2-3-4-7-10-16(15(23)24,14-18-20-21-19-14)22-11-17-12-8-5-6-9-13(12)22/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,23,24)(H,18,19,20,21)