[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3,3-dimethylbutanoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3,3-dimethylbutanoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C21H23FO4 MolecularWeight: 358.403323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)OCC1=C2C(=CC(=C1)F)CO[C@@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C21H23FO4/c1-21(2,3)11-18(23)24-12-15-9-17(22)10-16-13-25-20(26-19(15)16)14-7-5-4-6-8-14/h4-10,20H,11-13H2,1-3H3/t20-/m0/s1