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YN9

Summary
Name:3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid
Formula:C23 H21 F O3
Formal charge:0
Formula weight:364.409 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid
OpenEye OEToolkits2.0.73-[4-[[5-fluoranyl-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccc(cc1)c1ccc(F)cc1COc1ccc(cc1)CCC(=O)O
InChIInChI1.06InChI=1S/C23H21FO3/c1-16-2-7-18(8-3-16)22-12-9-20(24)14-19(22)15-27-21-10-4-17(5-11-21)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)
InChIKeyInChI1.06LPGBXHWIQNZEJB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1)c2ccc(F)cc2COc3ccc(CCC(O)=O)cc3
SMILESCACTVS3.385Cc1ccc(cc1)c2ccc(F)cc2COc3ccc(CCC(O)=O)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1)c2ccc(cc2COc3ccc(cc3)CCC(=O)O)F
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)c2ccc(cc2COc3ccc(cc3)CCC(=O)O)F

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PDB entries from 2024-11-06

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