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

Systemtic Name: 4-[2-[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C26H22BrNO4 MolecularWeight: 492.36118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrNO4/c1-3-31-24-14-19(12-22(15-28)20-8-10-21(11-9-20)26(29)30)13-23(27)25(24)32-16-18-6-4-17(2)5-7-18/h4-14H,3,16H2,1-2H3,(H,29,30)