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O4I

Summary
Name:2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide
Formula:C18 H24 Cl2 N2 O3
Formal charge:0
Formula weight:387.301 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H24Cl2N2O3/c1-18(2,25-15-5-3-14(20)4-6-15)17(24)22-9-7-13(8-10-22)12-21-16(23)11-19/h3-6,13H,7-12H2,1-2H3,(H,21,23)
InChIKeyInChI1.06TYZFHNCWUHVJGN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl
SMILESCACTVS3.385CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Oc2ccc(cc2)Cl
SMILESOpenEye OEToolkits3.1.0.0CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Oc2ccc(cc2)Cl

223532

PDB entries from 2024-08-07

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