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9XY

Summary
Name:Endoxifen
Synonyms:4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
Formula:C25 H27 N O2
Formal charge:0
Formula weight:373.487 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
OpenEye OEToolkits2.0.64-[(~{Z})-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-but-1-enyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CNCCOc1ccc(cc1)\C(=C(\CC)c2ccccc2)c3ccc(cc3)O
InChIInChI1.03InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
InChIKeyInChI1.03MHJBZVSGOZTKRH-IZHYLOQSSA-N
SMILES_CANONICALCACTVS3.385CC/C(c1ccccc1)=C(c2ccc(O)cc2)/c3ccc(OCCNC)cc3
SMILESCACTVS3.385CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCNC)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3
SMILESOpenEye OEToolkits2.0.6CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCNC)c3ccccc3

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건을2024-07-17부터공개중

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