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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-chlorophenyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C25H22ClN5O3 MolecularWeight: 475.92688

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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)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN5O3/c1-34-22(32)12-13-29-25(33)17-6-11-21-20(14-17)30-24(16-4-2-15(3-5-16)23(27)28)31(21)19-9-7-18(26)8-10-19/h2-11,14H,12-13H2,1H3,(H3,27,28)(H,29,33)