4-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxy-3-oxidanyl-benzoic acid

Systemtic Name: 4-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxy-3-oxidanyl-benzoic acid Openeye Name: 4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]oxy]-3-hydroxy-benzoic acid CAS Name: 4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-3-hydroxybenzoic acid IUPAC Name: 4-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxy-3-hydroxybenzoic acid Traditional Name: 4-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]oxy]-3-hydroxy-benzoic acid Formula: C29H23F2N5O6 MolecularWeight: 575.519626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OC4=C(C=C(C=C4)C(=O)O)O)F)OC5=CC=CC=C5C(=N)N

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OC4=C(C=C(C=C4)C(=O)O)O)F)OC5=CC=CC=C5C(=N)N

InChI

InChI=1S/C29H23F2N5O6/c1-36-12-11-34-26(36)15-5-4-6-17(13-15)40-27-22(30)24(41-21-10-9-16(29(38)39)14-19(21)37)23(31)28(35-27)42-20-8-3-2-7-18(20)25(32)33/h2-10,13-14,37H,11-12H2,1H3,(H3,32,33)(H,38,39)