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LRR

Summary
Name:1-(morpholin-4-yl)-4-phenylbutan-1-one
Formula:C14 H19 N O2
Formal charge:0
Formula weight:233.306 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(morpholin-4-yl)-4-phenylbutan-1-one
OpenEye OEToolkits2.0.71-morpholin-4-yl-4-phenyl-butan-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(CCCc1ccccc1)N1CCOCC1
InChIInChI1.03InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKeyInChI1.03VCWRKWJSYZSPEJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(CCCc1ccccc1)N2CCOCC2
SMILESCACTVS3.385O=C(CCCc1ccccc1)N2CCOCC2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CCCC(=O)N2CCOCC2
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CCCC(=O)N2CCOCC2

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PDB entries from 2024-07-17

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