methyl 3-[[2-(4-azanylcyclohexyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate dihydrochloride

Systemtic Name: methyl 3-[[2-(4-azanylcyclohexyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate dihydrochloride Openeye Name: methyl 3-[[2-(4-aminocyclohexyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate dihydrochloride CAS Name: 3-[[[2-(4-aminocyclohexyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-[[2-(4-aminocyclohexyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate dihydrochloride Traditional Name: 3-[[2-(4-aminocyclohexyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester dihydrochloride Formula: C19H28Cl2N4O3 MolecularWeight: 431.35662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3CCC(CC3)N.Cl.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3CCC(CC3)N.Cl.Cl

InChI

InChI=1S/C19H26N4O3.2ClH/c1-23-16-8-5-13(19(25)21-10-9-17(24)26-2)11-15(16)22-18(23)12-3-6-14(20)7-4-12;;/h5,8,11-12,14H,3-4,6-7,9-10,20H2,1-2H3,(H,21,25);2*1H