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

Systemtic Name: 3-aminocarbonyl-5-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxy-benzoic acid Openeye Name: 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]oxy]-5-carbamoyl-benzoic acid CAS Name: 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-5-carbamoylbenzoic acid IUPAC Name: 3-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxy-5-carbamoylbenzoic acid Traditional Name: 3-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]oxy]-5-carbamoyl-benzoic acid Formula: C30H24F2N6O6 MolecularWeight: 602.544966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H24F2N6O6/c1-38-10-9-36-27(38)15-5-4-6-18(12-15)43-28-22(31)24(42-19-13-16(26(35)39)11-17(14-19)30(40)41)23(32)29(37-28)44-21-8-3-2-7-20(21)25(33)34/h2-8,11-14H,9-10H2,1H3,(H3,33,34)(H2,35,39)(H,40,41)