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388

Summary
Name:(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID
Synonyms:IDD388
Formula:C16 H12 Br Cl F N O4
Formal charge:0
Formula weight:416.626 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
OpenEye OEToolkits1.5.02-[2-[(4-bromo-2-fluoro-phenyl)methylcarbamoyl]-5-chloro-phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1cc(F)c(cc1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(Br)cc2F
SMILESCACTVS3.341OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(Br)cc2F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br
InChIInChI1.03InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)
InChIKeyInChI1.03ZLIGBZRXAQNUFO-UHFFFAOYSA-N

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건을2024-07-17부터공개중

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