methyl 3-[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-6-(dimethylamino)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-27(2)17-12-18-16(11-15(17)22(30)25-10-9-19(29)31-4)26-21(28(18)3)14-7-5-13(6-8-14)20(23)24/h5-8,11-12H,9-10H2,1-4H3,(H3,23,24)(H,25,30)