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FG4

Summary
Name:{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid
Formula:C21 H17 N O6
Formal charge:0
Formula weight:379.363 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid
OpenEye OEToolkits1.6.12-[2-(1-benzofuran-2-ylmethoxycarbonyl)-5-methoxy-indol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)OCc3oc2ccccc2c3
SMILES_CANONICALCACTVS3.352COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)OCc3oc4ccccc4c3
SMILESCACTVS3.352COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)OCc3oc4ccccc4c3
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3
SMILESOpenEye OEToolkits1.7.0COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3
InChIInChI1.03InChI=1S/C21H17NO6/c1-26-15-6-7-17-14(9-15)10-18(22(17)11-20(23)24)21(25)27-12-16-8-13-4-2-3-5-19(13)28-16/h2-10H,11-12H2,1H3,(H,23,24)
InChIKeyInChI1.03CKGFVKXFHXZPEW-UHFFFAOYSA-N

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數據於2024-11-13公開中

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