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O49

Summary
Name:2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:C20 H26 Cl2 N2 O4
Formal charge:0
Formula weight:429.337 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H26Cl2N2O4/c21-13-18(25)23-14-15-5-9-24(10-6-15)19(26)20(7-11-27-12-8-20)28-17-3-1-16(22)2-4-17/h1-4,15H,5-14H2,(H,23,25)
InChIKeyInChI1.06BBKOLFVAMCDXBL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Oc3ccc(Cl)cc3
SMILESCACTVS3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Oc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1OC2(CCOCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1OC2(CCOCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl

223532

数据于2024-08-07公开中

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