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I98

Summary
Name:{2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Formula:C16 H14 Cl F N2 O4
Formal charge:0
Formula weight:352.745 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
OpenEye OEToolkits1.7.62-[2-[(4-azanyl-2-fluoranyl-phenyl)methylcarbamoyl]-5-chloranyl-phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(N)cc2F
InChIInChI1.03InChI=1S/C16H14ClFN2O4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8,19H2,(H,20,23)(H,21,22)
InChIKeyInChI1.03GFJYPJDGRCZNDI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(CNC(=O)c2ccc(Cl)cc2OCC(O)=O)c(F)c1
SMILESCACTVS3.385Nc1ccc(CNC(=O)c2ccc(Cl)cc2OCC(O)=O)c(F)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl

223166

数据于2024-07-31公开中

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