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

Systemtic Name: 2-methylpropyl 3-[[1-(4-phenylbutyl)benzimidazol-2-yl]carbonylamino]propanoate dihydrochloride Openeye Name: isobutyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-benzimidazolyl]methyl]amino]propanoic acid 2-methylpropyl ester dihydrochloride IUPAC Name: 2-methylpropyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride Traditional Name: 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propionic acid isobutyl ester dihydrochloride Formula: C25H33Cl2N3O3 MolecularWeight: 494.45382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3.2ClH/c1-19(2)18-31-23(29)15-16-26-25(30)24-27-21-13-6-7-14-22(21)28(24)17-9-8-12-20-10-4-3-5-11-20;;/h3-7,10-11,13-14,19H,8-9,12,15-18H2,1-2H3,(H,26,30);2*1H