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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-chloranylpyridine-3-carboxylate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-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 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C21H15ClFNO4 MolecularWeight: 399.799503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClFNO4/c22-19-17(7-4-8-24-19)20(25)26-11-14-9-16(23)10-15-12-27-21(28-18(14)15)13-5-2-1-3-6-13/h1-10,21H,11-12H2/t21-/m0/s1