4-[2-[2-bromanyl-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[2-bromanyl-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[2-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[2-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[2-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[2-bromo-5-ethoxy-4-(3-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=C3)F

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC3=CC(=CC=C3)F

InChI

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