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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-methoxy-2-oxidanylidene-ethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-methoxy-2-oxo-ethyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(2-methoxy-2-oxoethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-methoxy-2-oxoethyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-keto-2-methoxy-ethyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CC(=O)OC

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CC(=O)OC

InChI

InChI=1S/C22H23N5O5/c1-31-18(28)9-10-25-22(30)15-7-8-17-16(11-15)26-21(27(17)12-19(29)32-2)14-5-3-13(4-6-14)20(23)24/h3-8,11H,9-10,12H2,1-2H3,(H3,23,24)(H,25,30)