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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-6-methoxy-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-6-methoxy-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-6-methoxy-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-6-methoxy-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-6-methoxy-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-26-16-11-17(29-2)14(21(28)24-9-8-18(27)30-3)10-15(16)25-20(26)13-6-4-12(5-7-13)19(22)23/h4-7,10-11H,8-9H2,1-3H3,(H3,22,23)(H,24,28)