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

Systemtic Name: propan-2-yl 3-[[1-(4-phenylbutyl)benzimidazol-2-yl]carbonylamino]propanoate dihydrochloride Openeye Name: isopropyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-benzimidazolyl]methyl]amino]propanoic acid propan-2-yl ester dihydrochloride IUPAC Name: propan-2-yl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride Traditional Name: 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propionic acid isopropyl ester dihydrochloride Formula: C24H31Cl2N3O3 MolecularWeight: 480.42724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3.2ClH/c1-18(2)30-22(28)15-16-25-24(29)23-26-20-13-6-7-14-21(20)27(23)17-9-8-12-19-10-4-3-5-11-19;;/h3-7,10-11,13-14,18H,8-9,12,15-17H2,1-2H3,(H,25,29);2*1H