hexyl 3-[[1-(4-phenylbutyl)benzimidazol-2-yl]carbonylamino]propanoate dihydrochloride

Systemtic Name: hexyl 3-[[1-(4-phenylbutyl)benzimidazol-2-yl]carbonylamino]propanoate dihydrochloride Openeye Name: hexyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-benzimidazolyl]methyl]amino]propanoic acid hexyl ester dihydrochloride IUPAC Name: hexyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride Traditional Name: 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propionic acid hexyl ester dihydrochloride Formula: C27H37Cl2N3O3 MolecularWeight: 522.50698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCNC(=O)C1=NC2=CC=CC=C2N1CCCCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCCCCCOC(=O)CCNC(=O)C1=NC2=CC=CC=C2N1CCCCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C27H35N3O3.2ClH/c1-2-3-4-12-21-33-25(31)18-19-28-27(32)26-29-23-16-8-9-17-24(23)30(26)20-11-10-15-22-13-6-5-7-14-22;;/h5-9,13-14,16-17H,2-4,10-12,15,18-21H2,1H3,(H,28,32);2*1H