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

Systemtic Name: cyclooctyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate dihydrochloride Openeye Name: cyclooctyl 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 cyclooctyl ester dihydrochloride IUPAC Name: cyclooctyl 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 cyclooctyl ester dihydrochloride Formula: C27H35Cl2N5O3 MolecularWeight: 548.5045

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC3CCCCCCC3)N=C1C4=CC=C(C=C4)C(=N)N.Cl.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC3CCCCCCC3)N=C1C4=CC=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C27H33N5O3.2ClH/c1-32-23-14-13-20(17-22(23)31-26(32)19-11-9-18(10-12-19)25(28)29)27(34)30-16-15-24(33)35-21-7-5-3-2-4-6-8-21;;/h9-14,17,21H,2-8,15-16H2,1H3,(H3,28,29)(H,30,34);2*1H