methyl 3-[[2-(4-carbamimidoyl-2-fluoranyl-phenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoyl-2-fluoranyl-phenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoyl-2-fluoro-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoyl-2-fluorophenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoyl-2-fluorophenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidino-2-fluoro-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=C(C=C(C=C3)C(=N)N)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=C(C=C(C=C3)C(=N)N)F

InChI

InChI=1S/C20H20FN5O3/c1-26-16-6-4-12(20(28)24-8-7-17(27)29-2)10-15(16)25-19(26)13-5-3-11(18(22)23)9-14(13)21/h3-6,9-10H,7-8H2,1-2H3,(H3,22,23)(H,24,28)