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7HM

Summary
Name:3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Formula:C22 H16 Cl N O4
Formal charge:0
Formula weight:393.82 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
OpenEye OEToolkits2.0.63-[(4-chlorophenyl)methoxy]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(Oc1c(c(ccc1)C(O)=O)N2Cc3c(C2=O)cccc3)c4ccc(cc4)Cl
InChIInChI1.03InChI=1S/C22H16ClNO4/c23-16-10-8-14(9-11-16)13-28-19-7-3-6-18(22(26)27)20(19)24-12-15-4-1-2-5-17(15)21(24)25/h1-11H,12-13H2,(H,26,27)
InChIKeyInChI1.03CZTVXWXZRFSBPJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(OCc2ccc(Cl)cc2)c1N3Cc4ccccc4C3=O
SMILESCACTVS3.385OC(=O)c1cccc(OCc2ccc(Cl)cc2)c1N3Cc4ccccc4C3=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O

223166

數據於2024-07-31公開中

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