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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperazin-1-ylethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperazin-1-ylethyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(1-piperazinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperazin-1-ylethyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-piperazinoethyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C25H31N7O3 MolecularWeight: 477.55874

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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)CCN4CCNCC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCN4CCNCC4

InChI

InChI=1S/C25H31N7O3/c1-35-22(33)8-9-29-25(34)19-6-7-21-20(16-19)30-24(18-4-2-17(3-5-18)23(26)27)32(21)15-14-31-12-10-28-11-13-31/h2-7,16,28H,8-15H2,1H3,(H3,26,27)(H,29,34)