4-[[2-bromanyl-4-[2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-bromanyl-4-[2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-[2-cyano-2-(3-fluorophenyl)vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-[2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-[2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-[2-cyano-2-(3-fluorophenyl)vinyl]phenoxy]methyl]benzoic acid Formula: C23H15BrFNO3 MolecularWeight: 452.272503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)C#N

InChI

InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)