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E5H

Summary
Name:2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide
Formula:C22 H28 N2 O2
Formal charge:0
Formula weight:352.47 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)
InChIKeyInChI1.03IYYRFRHVGUOBGU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3
SMILESCACTVS3.385O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3

220113

PDB entries from 2024-05-22

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