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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl pyrazine-2-carboxylate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic 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 pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C20H15FN2O4 MolecularWeight: 366.342503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=NC=CN=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN2O4/c21-16-8-14(11-25-19(24)17-10-22-6-7-23-17)18-15(9-16)12-26-20(27-18)13-4-2-1-3-5-13/h1-10,20H,11-12H2/t20-/m0/s1