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5C6

Summary
Name:4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol
Formula:C32 H27 N O2
Formal charge:0
Formula weight:457.562 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol
OpenEye OEToolkits1.9.24-[1-(4-hydroxyphenyl)-2-[3-(naphthalen-1-ylamino)phenyl]but-1-enyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC/C(c1cc(ccc1)Nc2cccc3c2cccc3)=C(/c4ccc(cc4)O)c5ccc(cc5)O
InChIInChI1.03InChI=1S/C32H27NO2/c1-2-29(32(23-13-17-27(34)18-14-23)24-15-19-28(35)20-16-24)25-9-5-10-26(21-25)33-31-12-6-8-22-7-3-4-11-30(22)31/h3-21,33-35H,2H2,1H3
InChIKeyInChI1.03DUNBTGNJKIWECA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(c1cccc(Nc2cccc3ccccc23)c1)=C(c4ccc(O)cc4)c5ccc(O)cc5
SMILESCACTVS3.385CCC(c1cccc(Nc2cccc3ccccc23)c1)=C(c4ccc(O)cc4)c5ccc(O)cc5
SMILES_CANONICALOpenEye OEToolkits1.9.2CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5
SMILESOpenEye OEToolkits1.9.2CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5

223532

數據於2024-08-07公開中

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