(6-carbamimidoyl-1H-benzimidazol-2-yl) 2-(5-fluoranyl-2-oxidanyl-phenyl)-3-oxidanyl-benzoate

Systemtic Name: (6-carbamimidoyl-1H-benzimidazol-2-yl) 2-(5-fluoranyl-2-oxidanyl-phenyl)-3-oxidanyl-benzoate Openeye Name: (6-carbamimidoyl-1H-benzimidazol-2-yl) 2-(5-fluoro-2-hydroxy-phenyl)-3-hydroxy-benzoate CAS Name: 2-(5-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid (6-carbamimidoyl-1H-benzimidazol-2-yl) ester IUPAC Name: (6-carbamimidoyl-1H-benzimidazol-2-yl) 2-(5-fluoro-2-hydroxyphenyl)-3-hydroxybenzoate Traditional Name: 2-(5-fluoro-2-hydroxy-phenyl)-3-hydroxy-benzoic acid (6-amidino-1H-benzimidazol-2-yl) ester Formula: C21H15FN4O4 MolecularWeight: 406.366603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)F)O)C(=O)OC3=NC4=C(N3)C=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)F)O)C(=O)OC3=NC4=C(N3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C21H15FN4O4/c22-11-5-7-16(27)13(9-11)18-12(2-1-3-17(18)28)20(29)30-21-25-14-6-4-10(19(23)24)8-15(14)26-21/h1-9,27-28H,(H3,23,24)(H,25,26)