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4O9

Summary
Name:{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Formula:C16 H11 Cl F2 I N O4
Formal charge:0
Formula weight:481.617 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
OpenEye OEToolkits1.7.62-[2-[[2,6-bis(fluoranyl)-4-iodanyl-phenyl]methylcarbamoyl]-5-chloranyl-phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2c(F)cc(I)cc2F
InChIInChI1.03InChI=1S/C16H11ClF2INO4/c17-8-1-2-10(14(3-8)25-7-15(22)23)16(24)21-6-11-12(18)4-9(20)5-13(11)19/h1-5H,6-7H2,(H,21,24)(H,22,23)
InChIKeyInChI1.03CVVNVYYIZYRUDK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(I)cc2F
SMILESCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(I)cc2F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F

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PDB entries from 2024-10-09

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