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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-cyclopropyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-cyclopropyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-cyclopropyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-cyclopropylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-cyclopropyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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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)C4CC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C4CC4

InChI

InChI=1S/C22H23N5O3/c1-30-19(28)10-11-25-22(29)15-6-9-18-17(12-15)26-21(27(18)16-7-8-16)14-4-2-13(3-5-14)20(23)24/h2-6,9,12,16H,7-8,10-11H2,1H3,(H3,23,24)(H,25,29)