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A1BUS

Summary
Name:[(2R,3S)-2-methyloxolan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate
Formula:C20 H19 F O4
Formal charge:0
Formula weight:342.361 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52[(2R,3S)-2-methyloxolan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate
OpenEye OEToolkits3.1.0.0[(2~{R},3~{S})-2-methyloxolan-3-yl]methyl 2-(4-fluorophenyl)carbonylbenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(OCC1CCOC1C)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI1.06InChI=1S/C20H19FO4/c1-13-15(10-11-24-13)12-25-20(23)18-5-3-2-4-17(18)19(22)14-6-8-16(21)9-7-14/h2-9,13,15H,10-12H2,1H3/t13-,15+/m1/s1
InChIKeyInChI1.06POWQEKMIKMMKCE-HIFRSBDPSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1OCC[C@H]1COC(=O)c2ccccc2C(=O)c3ccc(F)cc3
SMILESCACTVS3.385C[CH]1OCC[CH]1COC(=O)c2ccccc2C(=O)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@@H]1[C@@H](CCO1)COC(=O)c2ccccc2C(=O)c3ccc(cc3)F
SMILESOpenEye OEToolkits3.1.0.0CC1C(CCO1)COC(=O)c2ccccc2C(=O)c3ccc(cc3)F

248335

PDB entries from 2026-01-28

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