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W8X

Summary
Name:{2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Formula:C16 H13 Br Cl N O4
Formal charge:0
Formula weight:398.636 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
OpenEye OEToolkits1.7.62-[2-[(4-bromophenyl)methylcarbamoyl]-5-chloranyl-phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1ccc(cc1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChIInChI1.03InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyInChI1.03PAOIFRPAIJVWIK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(Br)cc2
SMILESCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(Br)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br

222036

PDB entries from 2024-07-03

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