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27O

Summary
Name:(2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
Synonyms:(R)-Vedaprofen
Formula:C19 H22 O2
Formal charge:0
Formula weight:282.377 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
OpenEye OEToolkits1.7.6(2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(c2ccc(c1ccccc12)C3CCCCC3)C
InChIInChI1.03InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyInChI1.03VZUGVMQFWFVFBX-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](C(O)=O)c1ccc(C2CCCCC2)c3ccccc13
SMILESCACTVS3.385C[CH](C(O)=O)c1ccc(C2CCCCC2)c3ccccc13
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O
SMILESOpenEye OEToolkits1.7.6CC(c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O

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PDB entries from 2024-07-10

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