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A1BL0

Summary
Name:(3-{[4-(trifluoromethyl)phenyl]carbamoyl}furan-2-yl)acetic acid
Formula:C14 H10 F3 N O4
Formal charge:0
Formula weight:313.229 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3-{[4-(trifluoromethyl)phenyl]carbamoyl}furan-2-yl)acetic acid
OpenEye OEToolkits3.1.0.02-[3-[[4-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1ccc(cc1)C(F)(F)F)c1ccoc1CC(=O)O
InChIInChI1.06InChI=1S/C14H10F3NO4/c15-14(16,17)8-1-3-9(4-2-8)18-13(21)10-5-6-22-11(10)7-12(19)20/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeyInChI1.06UXFNAPYRMJRLSO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)Cc1occc1C(=O)Nc2ccc(cc2)C(F)(F)F
SMILESCACTVS3.385OC(=O)Cc1occc1C(=O)Nc2ccc(cc2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1C(F)(F)F)NC(=O)c2ccoc2CC(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1C(F)(F)F)NC(=O)c2ccoc2CC(=O)O

249697

PDB entries from 2026-02-25

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