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VWU

Summary
Name:2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
Formula:C17 H13 Cl3 N2 O2
Formal charge:0
Formula weight:383.656 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
OpenEye OEToolkits2.0.72-chloranyl-~{N}-[2-[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)phenyl]ethyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)CCl
InChIInChI1.06InChI=1S/C17H13Cl3N2O2/c18-9-17(23)22-4-3-11-1-2-15(20)16(7-11)24-14-6-12(10-21)5-13(19)8-14/h1-2,5-8H,3-4,9H2,(H,22,23)
InChIKeyInChI1.06FODVGONJGOTOHH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NCCc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1
SMILESCACTVS3.385ClCC(=O)NCCc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1CCNC(=O)CCl)Oc2cc(cc(c2)Cl)C#N)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1CCNC(=O)CCl)Oc2cc(cc(c2)Cl)C#N)Cl

224931

PDB entries from 2024-09-11

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