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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl pyridine-3-carboxylate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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 pyridine-3-carboxylate Traditional Name: nicotinic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C21H16FNO4 MolecularWeight: 365.354443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FNO4/c22-18-9-16(12-25-20(24)15-7-4-8-23-11-15)19-17(10-18)13-26-21(27-19)14-5-2-1-3-6-14/h1-11,21H,12-13H2/t21-/m0/s1