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8XS

Summary
Name:3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
Formula:C23 H16 F N O4
Formal charge:0
Formula weight:389.376 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
OpenEye OEToolkits2.0.63-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(C(O)=O)cccc1c4ccc2c(c(c(o2)c3ccc(cc3)F)C(=O)NC)c4
InChIInChI1.03InChI=1S/C23H16FNO4/c1-25-22(26)20-18-12-15(14-3-2-4-16(11-14)23(27)28)7-10-19(18)29-21(20)13-5-8-17(24)9-6-13/h2-12H,1H3,(H,25,26)(H,27,28)
InChIKeyInChI1.03UACLAKWHWHENCA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)c1c(oc2ccc(cc12)c3cccc(c3)C(O)=O)c4ccc(F)cc4
SMILESCACTVS3.385CNC(=O)c1c(oc2ccc(cc12)c3cccc(c3)C(O)=O)c4ccc(F)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.6CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O
SMILESOpenEye OEToolkits2.0.6CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O

223166

건을2024-07-31부터공개중

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