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IC1

Summary
Name:3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE
Synonyms:IC261
Formula:C18 H17 N O4
Formal charge:0
Formula weight:311.332 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits1.5.0(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C(\c1ccccc1N2)=C\c3c(OC)cc(OC)cc3OC
SMILES_CANONICALCACTVS3.341COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc23)c(OC)c1
SMILESCACTVS3.341COc1cc(OC)c(C=C2C(=O)Nc3ccccc23)c(OC)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC
SMILESOpenEye OEToolkits1.5.0COc1cc(c(c(c1)OC)C=C2c3ccccc3NC2=O)OC
InChIInChI1.03InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
InChIKeyInChI1.03JBJYTZXCZDNOJW-JLHYYAGUSA-N

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PDB entries from 2024-08-07

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