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W52

Summary
Name:2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:C22 H15 N O4
Formal charge:0
Formula weight:357.359 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27)
InChIKeyInChI1.06JLROENQELDGFNR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4
SMILESCACTVS3.385Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc3c(c2)c(cn3c4ccc(cc4)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc3c(c2)c(cn3c4ccc(cc4)O)C(=O)C(=O)O

248636

PDB entries from 2026-02-04

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