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2WR

Summary
Name:(2-carbamoyl-5-fluorophenoxy)acetic acid
Formula:C9 H8 F N O4
Formal charge:0
Formula weight:213.163 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-carbamoyl-5-fluorophenoxy)acetic acid
OpenEye OEToolkits1.7.62-(2-aminocarbonyl-5-fluoranyl-phenoxy)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)COc1cc(F)ccc1C(=O)N
InChIInChI1.03InChI=1S/C9H8FNO4/c10-5-1-2-6(9(11)14)7(3-5)15-4-8(12)13/h1-3H,4H2,(H2,11,14)(H,12,13)
InChIKeyInChI1.03PCNZVPHJJYWUKQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc(F)cc1OCC(O)=O
SMILESCACTVS3.385NC(=O)c1ccc(F)cc1OCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1F)OCC(=O)O)C(=O)N
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1F)OCC(=O)O)C(=O)N

225158

PDB entries from 2024-09-18

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