8-bromanyl-8-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octanoic acid

Systemtic Name: 8-bromanyl-8-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octanoic acid Openeye Name: 8-bromo-8-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]phenoxy]octanoic acid CAS Name: 8-bromo-8-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octanoic acid IUPAC Name: 8-bromo-8-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octanoic acid Traditional Name: 8-bromo-8-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]phenoxy]caprylic acid Formula: C25H28BrNO5 MolecularWeight: 502.39752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC=C(C=C2)OC(CCCCCCC(=O)O)Br)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC=C(C=C2)OC(CCCCCCC(=O)O)Br)/C#N)OC

InChI

InChI=1S/C25H28BrNO5/c1-30-22-14-11-19(16-23(22)31-2)20(17-27)15-18-9-12-21(13-10-18)32-24(26)7-5-3-4-6-8-25(28)29/h9-16,24H,3-8H2,1-2H3,(H,28,29)/b20-15+