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EWJ

Summary
Name:5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid
Formula:C20 H13 F N2 O3
Formal charge:0
Formula weight:348.327 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid
OpenEye OEToolkits2.0.65-(3-fluoranyl-1~{H}-pyrazol-4-yl)-2-naphthalen-2-yloxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3cccc4cc(Oc1ccc(cc1C(O)=O)c2cnnc2F)ccc34
InChIInChI1.03InChI=1S/C20H13FN2O3/c21-19-17(11-22-23-19)14-6-8-18(16(10-14)20(24)25)26-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,22,23)(H,24,25)
InChIKeyInChI1.03DLVKEINOBWQQLX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4F
SMILESCACTVS3.385OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4F
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F
SMILESOpenEye OEToolkits2.0.6c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F

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PDB entries from 2024-07-17

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