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WLF

Summary
Name:1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid
Formula:C14 H14 Cl F3 N2 O3
Formal charge:0
Formula weight:350.721 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid
OpenEye OEToolkits2.0.71-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1(CCCC1)C(=O)O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI1.06InChI=1S/C14H14ClF3N2O3/c15-8-3-4-10(9(7-8)14(16,17)18)19-12(23)20-13(11(21)22)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,21,22)(H2,19,20,23)
InChIKeyInChI1.06ODLNGMALGLLBFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1(CCCC1)NC(=O)Nc2ccc(Cl)cc2C(F)(F)F
SMILESCACTVS3.385OC(=O)C1(CCCC1)NC(=O)Nc2ccc(Cl)cc2C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)C(F)(F)F)NC(=O)NC2(CCCC2)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)C(F)(F)F)NC(=O)NC2(CCCC2)C(=O)O

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數據於2024-07-10公開中

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