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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic 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-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C22H18FNO5 MolecularWeight: 395.380423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FNO5/c1-13(25)15-9-19(24-10-15)21(26)27-11-16-7-18(23)8-17-12-28-22(29-20(16)17)14-5-3-2-4-6-14/h2-10,22,24H,11-12H2,1H3/t22-/m0/s1