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

Systemtic Name: 3-[[3-[6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-4-methyl-pyridin-2-yl]oxyphenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methyl-2-pyridyl]oxy]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[6-(2-carbamimidoylphenoxy)-3,5-difluoro-4-methylpyridin-2-yl]oxybenzoyl]amino]propanoic acid Traditional Name: 3-[[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)NCCC(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C23H20F2N4O5/c1-12-18(24)22(29-23(19(12)25)34-16-8-3-2-7-15(16)20(26)27)33-14-6-4-5-13(11-14)21(32)28-10-9-17(30)31/h2-8,11H,9-10H2,1H3,(H3,26,27)(H,28,32)(H,30,31)