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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-prop-2-ynyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-prop-2-ynyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-prop-2-ynyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-prop-2-ynylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-propargyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-3-12-27-18-9-8-16(22(29)25-11-10-19(28)30-2)13-17(18)26-21(27)15-6-4-14(5-7-15)20(23)24/h1,4-9,13H,10-12H2,2H3,(H3,23,24)(H,25,29)