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2YZ

Summary
Name:[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
Formula:C16 H14 F N O4
Formal charge:0
Formula weight:303.285 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
OpenEye OEToolkits1.7.62-[5-fluoranyl-2-[(phenylmethyl)carbamoyl]phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)COc2cc(F)ccc2C(=O)NCc1ccccc1
InChIInChI1.03InChI=1S/C16H14FNO4/c17-12-6-7-13(14(8-12)22-10-15(19)20)16(21)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyInChI1.03RQCSQAIXIUJOJU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(F)ccc1C(=O)NCc2ccccc2
SMILESCACTVS3.385OC(=O)COc1cc(F)ccc1C(=O)NCc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F

248636

PDB entries from 2026-02-04

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