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SummaryGeometryRelated PDB entries

O46

Summary
Name:N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
Formula:C19 H20 F N O3
Formal charge:0
Formula weight:329.365 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
OpenEye OEToolkits2.0.7~{N}-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1(CCOCC1)c1cccc(F)c1)Cc1cccc(O)c1
InChIInChI1.03InChI=1S/C19H20FNO3/c20-16-5-2-4-15(13-16)19(7-9-24-10-8-19)21-18(23)12-14-3-1-6-17(22)11-14/h1-6,11,13,22H,7-10,12H2,(H,21,23)
InChIKeyInChI1.03UQVBMSYLQWGFOX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(CC(=O)NC2(CCOCC2)c3cccc(F)c3)c1
SMILESCACTVS3.385Oc1cccc(CC(=O)NC2(CCOCC2)c3cccc(F)c3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)O)CC(=O)NC2(CCOCC2)c3cccc(c3)F
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)O)CC(=O)NC2(CCOCC2)c3cccc(c3)F

218853

PDB entries from 2024-04-24

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