(2E,5E)-2,5-bis[(3-fluoranyl-4-methoxy-phenyl)methylidene]cyclopentan-1-one

Systemtic Name: (2E,5E)-2,5-bis[(3-fluoranyl-4-methoxy-phenyl)methylidene]cyclopentan-1-one Openeye Name: (2E,5E)-2,5-bis[(3-fluoro-4-methoxy-phenyl)methylene]cyclopentanone CAS Name: (2E,5E)-2,5-bis[(3-fluoro-4-methoxyphenyl)methylidene]-1-cyclopentanone IUPAC Name: (2E,5E)-2,5-bis[(3-fluoro-4-methoxyphenyl)methylidene]cyclopentan-1-one Traditional Name: (2E,5E)-2,5-bis(3-fluoro-4-methoxy-benzylidene)cyclopentanone Formula: C21H18F2O3 MolecularWeight: 356.362626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCC(=CC3=CC(=C(C=C3)OC)F)C2=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)F)/CC2)F

InChI

InChI=1S/C21H18F2O3/c1-25-19-7-3-13(11-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-20(26-2)18(23)12-14/h3-4,7-12H,5-6H2,1-2H3/b15-9+,16-10+