(3-fluoranyl-4-methoxy-phenyl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H19FO5 MolecularWeight: 358.360263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C20H19FO5/c1-23-17-6-4-15(11-16(17)21)13-26-20(22)8-5-14-3-7-18-19(12-14)25-10-2-9-24-18/h3-8,11-12H,2,9-10,13H2,1H3/b8-5+