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A1BUW

Summary
Name:[(3S)-oxolan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate
Formula:C19 H17 F O4
Formal charge:0
Formula weight:328.334 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(OCC1CCOC1)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI1.06InChI=1S/C19H17FO4/c20-15-7-5-14(6-8-15)18(21)16-3-1-2-4-17(16)19(22)24-12-13-9-10-23-11-13/h1-8,13H,9-12H2/t13-/m0/s1
InChIKeyInChI1.06XQKFWRREXIJMHV-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[C@H]3CCOC3
SMILESCACTVS3.385Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[CH]3CCOC3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OC[C@H]3CCOC3
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCC3CCOC3

248335

PDB entries from 2026-01-28

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