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

Systemtic Name: 6-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxyhexanoic acid Openeye Name: 6-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]oxy]hexanoic acid CAS Name: 6-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]hexanoic acid IUPAC Name: 6-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxyhexanoic acid Traditional Name: 6-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]oxy]hexanoic acid Formula: C28H29F2N5O5 MolecularWeight: 553.557166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OCCCCCC(=O)O)F)OC4=CC=CC=C4C(=N)N

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OCCCCCC(=O)O)F)OC4=CC=CC=C4C(=N)N

InChI

InChI=1S/C28H29F2N5O5/c1-35-14-13-33-26(35)17-8-7-9-18(16-17)39-27-22(29)24(38-15-6-2-3-12-21(36)37)23(30)28(34-27)40-20-11-5-4-10-19(20)25(31)32/h4-5,7-11,16H,2-3,6,12-15H2,1H3,(H3,31,32)(H,36,37)