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NWE

Summary
Name:2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid
Formula:C24 H23 N O3
Formal charge:0
Formula weight:373.444 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H23NO3/c26-24(27)14-21-5-1-2-7-23(21)28-16-17-4-3-6-19(12-17)20-9-8-18-10-11-25-15-22(18)13-20/h1-9,12-13,25H,10-11,14-16H2,(H,26,27)
InChIKeyInChI1.03PKSHGMOAJDEGBL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)Cc1ccccc1OCc2cccc(c2)c3ccc4CCNCc4c3
SMILESCACTVS3.385OC(=O)Cc1ccccc1OCc2cccc(c2)c3ccc4CCNCc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4

222926

数据于2024-07-24公开中

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