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EHC

Summary
Name:2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
Formula:C21 H16 Cl N O3
Formal charge:0
Formula weight:365.81 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)
InChIKeyInChI1.03LOEBSRSQBHSNFT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3
SMILESCACTVS3.385OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl

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건을2024-07-17부터공개중

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