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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-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-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C25H18FNO4 MolecularWeight: 415.413123

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C=CC4=CC=C(C=C4)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C25H18FNO4/c26-22-12-20(15-29-23(28)11-10-17-6-8-18(14-27)9-7-17)24-21(13-22)16-30-25(31-24)19-4-2-1-3-5-19/h1-13,25H,15-16H2/b11-10+/t25-/m0/s1