[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic 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-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C20H16FNO5 MolecularWeight: 369.343143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)C(=O)OCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C20H16FNO5/c1-12-7-17(27-22-12)19(23)24-10-14-8-16(21)9-15-11-25-20(26-18(14)15)13-5-3-2-4-6-13/h2-9,20H,10-11H2,1H3/t20-/m0/s1