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

Systemtic Name: butyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate dihydrochloride Openeye Name: butyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate dihydrochloride CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid butyl ester dihydrochloride IUPAC Name: butyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate dihydrochloride Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid butyl ester dihydrochloride Formula: C23H29Cl2N5O3 MolecularWeight: 494.41406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C.Cl.Cl

Isomeric SMILES

CCCCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C.Cl.Cl

InChI

InChI=1S/C23H27N5O3.2ClH/c1-3-4-13-31-20(29)11-12-26-23(30)17-9-10-19-18(14-17)27-22(28(19)2)16-7-5-15(6-8-16)21(24)25;;/h5-10,14H,3-4,11-13H2,1-2H3,(H3,24,25)(H,26,30);2*1H