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5CC

Summary
Name:4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol
Formula:C28 H25 N O2
Formal charge:0
Formula weight:407.504 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC/C(c1cc(ccc1)Nc2ccccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O
InChIInChI1.03InChI=1S/C28H25NO2/c1-2-27(22-7-6-10-24(19-22)29-23-8-4-3-5-9-23)28(20-11-15-25(30)16-12-20)21-13-17-26(31)18-14-21/h3-19,29-31H,2H2,1H3
InChIKeyInChI1.03RFOPQFVGWFBJRC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
SMILESCACTVS3.385CCC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits1.9.2CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4
SMILESOpenEye OEToolkits1.9.2CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4

223166

건을2024-07-31부터공개중

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