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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C(=C2)Br)C=C(C#N)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C(=C2)Br)C=C(C#N)C3=CC=C(C=C3)C(=O)O)OC

InChI

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