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

Systemtic Name: 2-[3-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxypyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]oxy]pyrrolidin-1-yl]acetic acid CAS Name: 2-[3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxypyrrolidin-1-yl]acetic acid Traditional Name: 2-[3-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]oxy]pyrrolidino]acetic acid Formula: C28H28F2N6O5 MolecularWeight: 566.555926

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OC4CCN(C4)CC(=O)O)F)OC5=CC=CC=C5C(=N)N

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OC4CCN(C4)CC(=O)O)F)OC5=CC=CC=C5C(=N)N

InChI

InChI=1S/C28H28F2N6O5/c1-35-12-10-33-26(35)16-5-4-6-17(13-16)40-27-22(29)24(39-18-9-11-36(14-18)15-21(37)38)23(30)28(34-27)41-20-8-3-2-7-19(20)25(31)32/h2-8,13,18H,9-12,14-15H2,1H3,(H3,31,32)(H,37,38)