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

Systemtic Name: 3-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxybenzoic acid Openeye Name: 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]oxy]benzoic acid CAS Name: 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]benzoic acid IUPAC Name: 3-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxybenzoic acid Traditional Name: 3-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]oxy]benzoic acid Formula: C29H23F2N5O5 MolecularWeight: 559.520226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23F2N5O5/c1-36-13-12-34-26(36)16-6-4-9-19(14-16)40-27-22(30)24(39-18-8-5-7-17(15-18)29(37)38)23(31)28(35-27)41-21-11-3-2-10-20(21)25(32)33/h2-11,14-15H,12-13H2,1H3,(H3,32,33)(H,37,38)