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RRG

Summary
Name:(2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
Formula:C24 H24 O3
Formal charge:0
Formula weight:360.446 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
OpenEye OEToolkits1.7.6(2S)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(Oc1ccc(cc1)c2ccccc2C(C)C)Cc3ccccc3
InChIInChI1.03InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyInChI1.03LGZFNUULAZCXCA-QHCPKHFHSA-N
SMILES_CANONICALCACTVS3.370CC(C)c1ccccc1c2ccc(O[C@@H](Cc3ccccc3)C(O)=O)cc2
SMILESCACTVS3.370CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)=O)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O
SMILESOpenEye OEToolkits1.7.6CC(C)c1ccccc1c2ccc(cc2)OC(Cc3ccccc3)C(=O)O

227111

PDB entries from 2024-11-06

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