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

Systemtic Name: cyclohexylmethyl 3-[[1-(4-phenylbutyl)benzimidazol-2-yl]carbonylamino]propanoate dihydrochloride Openeye Name: cyclohexylmethyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-benzimidazolyl]methyl]amino]propanoic acid cyclohexylmethyl ester dihydrochloride IUPAC Name: cyclohexylmethyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride Traditional Name: 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propionic acid cyclohexylmethyl ester dihydrochloride Formula: C28H37Cl2N3O3 MolecularWeight: 534.51768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)CCNC(=O)C2=NC3=CC=CC=C3N2CCCCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CCC(CC1)COC(=O)CCNC(=O)C2=NC3=CC=CC=C3N2CCCCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C28H35N3O3.2ClH/c32-26(34-21-23-14-5-2-6-15-23)18-19-29-28(33)27-30-24-16-7-8-17-25(24)31(27)20-10-9-13-22-11-3-1-4-12-22;;/h1,3-4,7-8,11-12,16-17,23H,2,5-6,9-10,13-15,18-21H2,(H,29,33);2*1H