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2B5

Summary
Name:2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
Formula:C21 H18 N2 O5
Formal charge:0
Formula weight:378.378 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.12-[2-[(1-benzofuran-2-ylcarbonylamino)methyl]-5-methoxy-indol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352COc1ccc2n(CC(O)=O)c(CNC(=O)c3oc4ccccc4c3)cc2c1
SMILESCACTVS3.352COc1ccc2n(CC(O)=O)c(CNC(=O)c3oc4ccccc4c3)cc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3
SMILESOpenEye OEToolkits1.7.0COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3
InChIInChI1.03InChI=1S/C21H18N2O5/c1-27-16-6-7-17-14(9-16)8-15(23(17)12-20(24)25)11-22-21(26)19-10-13-4-2-3-5-18(13)28-19/h2-10H,11-12H2,1H3,(H,22,26)(H,24,25)
InChIKeyInChI1.03CYMXZVQAGCGDHU-UHFFFAOYSA-N

224572

數據於2024-09-04公開中

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