(4E)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-7-fluoranyl-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: (4E)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-7-fluoranyl-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-7-fluoro-4-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-7-fluoro-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-7-fluoro-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-7-fluoro-4-(4-hydroxy-3,5-dimethoxy-benzylidene)-2,3-dihydro-1-benzoxepin-5-one Formula: C19H17FO5 MolecularWeight: 344.333683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=C2CCOC3=C(C2=O)C=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/2\CCOC3=C(C2=O)C=C(C=C3)F

InChI

InChI=1S/C19H17FO5/c1-23-16-8-11(9-17(24-2)19(16)22)7-12-5-6-25-15-4-3-13(20)10-14(15)18(12)21/h3-4,7-10,22H,5-6H2,1-2H3/b12-7+