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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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