ethyl (E)-3-[4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]oxy-3-ethoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethoxy]-3-ethoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]oxy-3-ethoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]oxy-3-ethoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C26H28BrNO6 MolecularWeight: 530.40762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

InChI

InChI=1S/C26H28BrNO6/c1-6-31-24-12-18(11-19(14-28)26(30)32-7-2)8-9-22(24)34-25(29)15-33-23-10-17(5)21(27)13-20(23)16(3)4/h8-13,16H,6-7,15H2,1-5H3/b19-11+