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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-cyanobenzoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C23H16FNO4 MolecularWeight: 389.375843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)C#N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C23H16FNO4/c24-20-10-18(13-27-22(26)16-8-6-15(12-25)7-9-16)21-19(11-20)14-28-23(29-21)17-4-2-1-3-5-17/h1-11,23H,13-14H2/t23-/m0/s1