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ODC

Summary
Name:2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
Formula:C19 H26 Cl2 N2 O3
Formal charge:0
Formula weight:401.327 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.02-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24)
InChIKeyInChI1.06HSPMLEKSWRTATK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2
SMILESCACTVS3.385CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)(C(=O)N1CCC(CC1)CCNC(=O)CCl)Oc2ccc(cc2)Cl
SMILESOpenEye OEToolkits3.1.0.0CC(C)(C(=O)N1CCC(CC1)CCNC(=O)CCl)Oc2ccc(cc2)Cl

246905

PDB entries from 2025-12-31

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