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A1L3Q

Summary
Name:CpY
Synonyms:(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
Formula:C17 H25 N O2
Formal charge:0
Formula weight:275.386 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1
InChIKeyInChI1.06FXNNNICQCLNEPG-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)[C@@H](CO)c1cccc2c(C)c(CC)oc12
SMILESCACTVS3.385CCN(CC)[CH](CO)c1cccc2c(C)c(CC)oc12
SMILES_CANONICALOpenEye OEToolkits2.0.7CCc1c(c2cccc(c2o1)[C@H](CO)N(CC)CC)C
SMILESOpenEye OEToolkits2.0.7CCc1c(c2cccc(c2o1)C(CO)N(CC)CC)C

239149

PDB entries from 2025-07-23

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