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3KQ

Summary
Name:N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide
Formula:C24 H22 Cl2 N2 O5
Formal charge:0
Formula weight:489.348 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide
OpenEye OEToolkits1.7.62-[6-[2-[3,5-bis(chloranyl)pyridin-4-yl]ethanoyl]-2,3-dimethoxy-phenoxy]-N-(phenylmethyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1c(c(Cl)cnc1)CC(=O)c3ccc(OC)c(OC)c3OCC(=O)NCc2ccccc2
InChIInChI1.03InChI=1S/C24H22Cl2N2O5/c1-31-21-9-8-16(20(29)10-17-18(25)12-27-13-19(17)26)23(24(21)32-2)33-14-22(30)28-11-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,28,30)
InChIKeyInChI1.03QAWMQQLOQHCIJW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCc3ccccc3)c1OC
SMILESCACTVS3.385COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCc3ccccc3)c1OC
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl
SMILESOpenEye OEToolkits1.7.6COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl

223532

PDB entries from 2024-08-07

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