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

Systemtic Name: 3-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxy-4-methoxy-benzoic acid Openeye Name: 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]oxy]-4-methoxy-benzoic acid CAS Name: 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-4-methoxybenzoic acid IUPAC Name: 3-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxy-4-methoxybenzoic acid Traditional Name: 3-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]oxy]-4-methoxy-benzoic acid Formula: C30H25F2N5O6 MolecularWeight: 589.546206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25F2N5O6/c1-37-13-12-35-27(37)16-6-5-7-18(14-16)41-28-23(31)25(42-22-15-17(30(38)39)10-11-21(22)40-2)24(32)29(36-28)43-20-9-4-3-8-19(20)26(33)34/h3-11,14-15H,12-13H2,1-2H3,(H3,33,34)(H,38,39)