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LRG

Summary
Name:(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Formula:C21 H18 O3
Formal charge:0
Formula weight:318.366 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3
SMILES_CANONICALCACTVS3.341OC(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3
SMILESCACTVS3.341OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3ccccc3
InChIInChI1.03InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
InChIKeyInChI1.03TZTPJJNNACUQQR-FQEVSTJZSA-N

227111

数据于2024-11-06公开中

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