JTE

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Summary

Name:(2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid
Formula:C17 H17 F O2
Formal charge:0
Molecular weight:272.314 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H17FO2/c1-10-6-11(2)8-14(7-10)15-5-4-13(9-16(15)18)12(3)17(19)20/h4-9,12H,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyInChI1.03CSCOFCJZZSLCNM-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](C(O)=O)c1ccc(c(F)c1)c2cc(C)cc(C)c2
SMILESCACTVS3.385C[CH](C(O)=O)c1ccc(c(F)c1)c2cc(C)cc(C)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1)c2ccc(cc2F)C(C)C(=O)O)C