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

Systemtic Name: 3-[6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-4-methyl-pyridin-2-yl]oxy-2-methyl-6-oxidanyl-benzoic acid Openeye Name: 3-[[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methyl-2-pyridyl]oxy]-6-hydroxy-2-methyl-benzoic acid CAS Name: 3-[[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-6-hydroxy-2-methylbenzoic acid IUPAC Name: 3-[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methylpyridin-2-yl]oxy-6-hydroxy-2-methylbenzoic acid Traditional Name: 3-[[6-(2-amidinophenoxy)-3,5-difluoro-4-methyl-2-pyridyl]oxy]-6-hydroxy-2-methyl-benzoic acid Formula: C21H17F2N3O5 MolecularWeight: 429.373586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)O)O)OC2=C(C(=C(C(=N2)OC3=CC=CC=C3C(=N)N)F)C)F

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)O)O)OC2=C(C(=C(C(=N2)OC3=CC=CC=C3C(=N)N)F)C)F

InChI

InChI=1S/C21H17F2N3O5/c1-9-13(8-7-12(27)15(9)21(28)29)30-19-16(22)10(2)17(23)20(26-19)31-14-6-4-3-5-11(14)18(24)25/h3-8,27H,1-2H3,(H3,24,25)(H,28,29)