methyl 3-[[2-(4-carbamimidoylphenyl)-7-fluoranyl-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-7-fluoranyl-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-7-fluoro-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-7-fluoro-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-7-fluoro-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-7-fluoro-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=C2F)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2F)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

InChI

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