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GRR

Summary
Name:(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
Formula:C17 H18 O3
Formal charge:0
Formula weight:270.323 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
OpenEye OEToolkits1.5.0(2S)-2-(4-ethylphenoxy)-3-phenyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(Oc1ccc(cc1)CC)Cc2ccccc2
SMILES_CANONICALCACTVS3.341CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
SMILESCACTVS3.341CCc1ccc(O[CH](Cc2ccccc2)C(O)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O
SMILESOpenEye OEToolkits1.5.0CCc1ccc(cc1)OC(Cc2ccccc2)C(=O)O
InChIInChI1.03InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyInChI1.03CJMVTSLLWMPEKQ-INIZCTEOSA-N

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PDB entries from 2024-07-10

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