4-[2-[3-bromanyl-4-(naphthalen-2-ylmethoxy)phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[3-bromanyl-4-(naphthalen-2-ylmethoxy)phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-4-(2-naphthylmethoxy)phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-4-(2-naphthalenylmethoxy)phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-4-(2-naphthylmethoxy)phenyl]-1-cyano-vinyl]benzoic acid Formula: C27H18BrNO3 MolecularWeight: 484.34072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)COC3=C(C=C(C=C3)C=C(C#N)C4=CC=C(C=C4)C(=O)O)Br

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)COC3=C(C=C(C=C3)C=C(C#N)C4=CC=C(C=C4)C(=O)O)Br

InChI

InChI=1S/C27H18BrNO3/c28-25-15-18(13-24(16-29)21-8-10-22(11-9-21)27(30)31)6-12-26(25)32-17-19-5-7-20-3-1-2-4-23(20)14-19/h1-15H,17H2,(H,30,31)