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SRQ

Summary
Name:2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Formula:C14 H15 F2 N O3
Formal charge:0
Formula weight:283.271 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H15F2NO3/c15-12(16)9-20-14(19)6-5-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-4,12H,5-9H2
InChIKeyInChI1.03ZBGADGOMZKMKIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)COC(=O)CCC(=O)N1CCc2ccccc12
SMILESCACTVS3.385FC(F)COC(=O)CCC(=O)N1CCc2ccccc12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F

222415

数据于2024-07-10公开中

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