4-[2-[3-bromanyl-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[3-bromanyl-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-4-(3-fluorobenzyl)oxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C23H15BrFNO3 MolecularWeight: 452.272503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)Br

InChI

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