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A1ECS

Summary
Name:PF-04418948
Synonyms:1-(4-fluorophenyl)carbonyl-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid
Formula:C23 H20 F N O5
Formal charge:0
Formula weight:409.407 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-(4-fluorophenyl)carbonyl-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)
InChIKeyInChI1.06LWJGMYMNSNVCEM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2cc(OCC3(CN(C3)C(=O)c4ccc(F)cc4)C(O)=O)ccc2c1
SMILESCACTVS3.385COc1ccc2cc(OCC3(CN(C3)C(=O)c4ccc(F)cc4)C(O)=O)ccc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc2cc(ccc2c1)OCC3(CN(C3)C(=O)c4ccc(cc4)F)C(=O)O
SMILESOpenEye OEToolkits2.0.7COc1ccc2cc(ccc2c1)OCC3(CN(C3)C(=O)c4ccc(cc4)F)C(=O)O

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PDB entries from 2026-01-14

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