4-[2-[2-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[2-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[2-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C25H19BrFNO4 MolecularWeight: 496.325063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C25H19BrFNO4/c1-2-31-23-12-19(11-20(14-28)16-7-9-17(10-8-16)25(29)30)21(26)13-24(23)32-15-18-5-3-4-6-22(18)27/h3-13H,2,15H2,1H3,(H,29,30)