3-[[1-(4-phenylbutyl)benzimidazol-2-yl]carbonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[1-(4-phenylbutyl)benzimidazol-2-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-benzimidazolyl]methyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propionic acid dihydrobromide Formula: C21H25Br2N3O3 MolecularWeight: 527.2495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN2C3=CC=CC=C3N=C2C(=O)NCCC(=O)O.Br.Br

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C3=CC=CC=C3N=C2C(=O)NCCC(=O)O.Br.Br

InChI

InChI=1S/C21H23N3O3.2BrH/c25-19(26)13-14-22-21(27)20-23-17-11-4-5-12-18(17)24(20)15-7-6-10-16-8-2-1-3-9-16;;/h1-5,8-9,11-12H,6-7,10,13-15H2,(H,22,27)(H,25,26);2*1H