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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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