2-[[3-[6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-4-methyl-pyridin-2-yl]oxyphenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[3-[6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-4-methyl-pyridin-2-yl]oxyphenyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-[[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methyl-2-pyridyl]oxy]benzoyl]amino]propanoic acid CAS Name: 2-[[[3-[[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[3-[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methylpyridin-2-yl]oxybenzoyl]amino]propanoic acid Traditional Name: 2-[[3-[[6-(2-amidinophenoxy)-3,5-difluoro-4-methyl-2-pyridyl]oxy]benzoyl]amino]propionic acid Formula: C23H20F2N4O5 MolecularWeight: 470.425506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1F)OC2=CC=CC=C2C(=N)N)OC3=CC=CC(=C3)C(=O)NC(C)C(=O)O)F

Isomeric SMILES

CC1=C(C(=NC(=C1F)OC2=CC=CC=C2C(=N)N)OC3=CC=CC(=C3)C(=O)NC(C)C(=O)O)F

InChI

InChI=1S/C23H20F2N4O5/c1-11-17(24)21(29-22(18(11)25)34-16-9-4-3-8-15(16)19(26)27)33-14-7-5-6-13(10-14)20(30)28-12(2)23(31)32/h3-10,12H,1-2H3,(H3,26,27)(H,28,30)(H,31,32)