methyl 3-[(1-tetradecylbenzimidazol-2-yl)carbonylamino]propanoate dihydrochloride

Systemtic Name: methyl 3-[(1-tetradecylbenzimidazol-2-yl)carbonylamino]propanoate dihydrochloride Openeye Name: methyl 3-[(1-tetradecylbenzimidazole-2-carbonyl)amino]propanoate dihydrochloride CAS Name: 3-[[oxo-(1-tetradecyl-2-benzimidazolyl)methyl]amino]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-[(1-tetradecylbenzimidazole-2-carbonyl)amino]propanoate dihydrochloride Traditional Name: 3-[(1-myristylbenzimidazole-2-carbonyl)amino]propionic acid methyl ester dihydrochloride Formula: C26H43Cl2N3O3 MolecularWeight: 516.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1C(=O)NCCC(=O)OC.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1C(=O)NCCC(=O)OC.Cl.Cl

InChI

InChI=1S/C26H41N3O3.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-29-23-18-15-14-17-22(23)28-25(29)26(31)27-20-19-24(30)32-2;;/h14-15,17-18H,3-13,16,19-21H2,1-2H3,(H,27,31);2*1H