[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic 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 (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C27H20FNO4 MolecularWeight: 441.450403

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C=CC4=CC=CC5=C4N=CC=C5)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)/C=C/C4=CC=CC5=C4N=CC=C5)F

InChI

InChI=1S/C27H20FNO4/c28-23-14-21(26-22(15-23)17-32-27(33-26)20-6-2-1-3-7-20)16-31-24(30)12-11-19-9-4-8-18-10-5-13-29-25(18)19/h1-15,27H,16-17H2/b12-11+/t27-/m0/s1