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

Systemtic Name: 4-phenylbutyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate dihydrochloride Openeye Name: 4-phenylbutyl 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 4-phenylbutyl ester dihydrochloride IUPAC Name: 4-phenylbutyl 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 4-phenylbutyl ester dihydrochloride Formula: C29H33Cl2N5O3 MolecularWeight: 570.51002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OCCCCC3=CC=CC=C3)N=C1C4=CC=C(C=C4)C(=N)N.Cl.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OCCCCC3=CC=CC=C3)N=C1C4=CC=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C29H31N5O3.2ClH/c1-34-25-15-14-23(19-24(25)33-28(34)22-12-10-21(11-13-22)27(30)31)29(36)32-17-16-26(35)37-18-6-5-9-20-7-3-2-4-8-20;;/h2-4,7-8,10-15,19H,5-6,9,16-18H2,1H3,(H3,30,31)(H,32,36);2*1H