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617

Summary
Name:2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID
Synonyms:2-(2-(4-CHLOROPHENOXY)ACETAMIDO)BENZOIC ACID
Formula:C15 H12 Cl N O4
Formal charge:0
Formula weight:305.713 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{[(4-chlorophenoxy)acetyl]amino}benzoic acid
OpenEye OEToolkits1.5.02-[2-(4-chlorophenoxy)ethanoylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2ccc(OCC(=O)Nc1ccccc1C(=O)O)cc2
SMILES_CANONICALCACTVS3.341OC(=O)c1ccccc1NC(=O)COc2ccc(Cl)cc2
SMILESCACTVS3.341OC(=O)c1ccccc1NC(=O)COc2ccc(Cl)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl
InChIInChI1.03InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyInChI1.03LXSDGQYDSDIUPN-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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