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A1BUV

Summary
Name:[(3S)-oxan-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[(3S)-oxan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate
OpenEye OEToolkits3.1.0.0[(3~{S})-oxan-3-yl]methyl 2-(4-fluorophenyl)carbonylbenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc(cc1)C(=O)c1ccccc1C(=O)OCC1CCCOC1
InChIInChI1.06InChI=1S/C20H19FO4/c21-16-9-7-15(8-10-16)19(22)17-5-1-2-6-18(17)20(23)25-13-14-4-3-11-24-12-14/h1-2,5-10,14H,3-4,11-13H2/t14-/m0/s1
InChIKeyInChI1.06CWEAJQKGFNSNKU-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[C@H]3CCCOC3
SMILESCACTVS3.385Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[CH]3CCCOC3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OC[C@H]3CCCOC3
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCC3CCCOC3

248335

PDB entries from 2026-01-28

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