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VVY

Summary
Name:2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
Formula:C12 H15 N O2
Formal charge:0
Formula weight:205.253 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
OpenEye OEToolkits2.0.72-phenoxy-1-pyrrolidin-1-yl-ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCCC1)C(=O)COc2ccccc2
InChIInChI1.03InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyInChI1.03FYNNGWZCHCSIQA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(COc1ccccc1)N2CCCC2
SMILESCACTVS3.385O=C(COc1ccccc1)N2CCCC2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)OCC(=O)N2CCCC2
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)OCC(=O)N2CCCC2

217705

PDB entries from 2024-03-27

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