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

Systemtic Name: 4-[2-[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C25H20BrNO4 MolecularWeight: 478.3346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=C(C#N)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=C(C#N)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C25H20BrNO4/c1-16-3-5-17(6-4-16)15-31-24-22(26)12-18(13-23(24)30-2)11-21(14-27)19-7-9-20(10-8-19)25(28)29/h3-13H,15H2,1-2H3,(H,28,29)