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ZZH

Summary
Name:(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
Formula:C22 H20 O3
Formal charge:0
Formula weight:332.392 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
OpenEye OEToolkits1.5.0(2S)-3-phenyl-2-[4-(phenylmethyl)phenoxy]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(Oc1ccc(cc1)Cc2ccccc2)Cc3ccccc3
SMILES_CANONICALCACTVS3.341OC(=O)[C@H](Cc1ccccc1)Oc2ccc(Cc3ccccc3)cc2
SMILESCACTVS3.341OC(=O)[CH](Cc1ccccc1)Oc2ccc(Cc3ccccc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)Cc2ccc(cc2)OC(Cc3ccccc3)C(=O)O
InChIInChI1.03InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
InChIKeyInChI1.03YVAQXSJDDQRTTP-NRFANRHFSA-N

225158

PDB entries from 2024-09-18

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