(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H18FNO5 MolecularWeight: 431.412523

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C=CC4=NC5=CC=CC=C5O4)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)/C=C/C4=NC5=CC=CC=C5O4)F

InChI

InChI=1S/C25H18FNO5/c26-19-12-17(24-18(13-19)15-30-25(32-24)16-6-2-1-3-7-16)14-29-23(28)11-10-22-27-20-8-4-5-9-21(20)31-22/h1-13,25H,14-15H2/b11-10+