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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate hydrochloride Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate hydrochloride CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate hydrochloride Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester hydrochloride Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H21N5O3.ClH/c1-25-16-8-7-14(20(27)23-10-9-17(26)28-2)11-15(16)24-19(25)13-5-3-12(4-6-13)18(21)22;/h3-8,11H,9-10H2,1-2H3,(H3,21,22)(H,23,27);1H