ethyl (E)-3-[4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]oxy-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[2-(4-bromo-2-tert-butylphenoxy)acetyl]oxy-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]oxy-3-methoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C25H26BrNO6 MolecularWeight: 516.38104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C)OC)/C#N

InChI

InChI=1S/C25H26BrNO6/c1-6-31-24(29)17(14-27)11-16-7-9-21(22(12-16)30-5)33-23(28)15-32-20-10-8-18(26)13-19(20)25(2,3)4/h7-13H,6,15H2,1-5H3/b17-11+