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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-methoxyethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-methoxyethyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(2-methoxyethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-methoxyethyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-methoxyethyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N5O4/c1-30-12-11-27-18-8-7-16(22(29)25-10-9-19(28)31-2)13-17(18)26-21(27)15-5-3-14(4-6-15)20(23)24/h3-8,13H,9-12H2,1-2H3,(H3,23,24)(H,25,29)