M0K

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Summary

Name:2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid
Formula:C13 H14 F N O4
Formal charge:0
Molecular weight:267.253 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H14FNO4/c14-9-3-4-10(11(5-9)19-7-12(16)17)13(18)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,18)(H,16,17)
InChIKeyInChI1.03HTGQMFXFEJIGKP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(F)ccc1C(=O)NCC2CC2
SMILESCACTVS3.385OC(=O)COc1cc(F)ccc1C(=O)NCC2CC2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2
170172
PDB entries from 2020-10-21