ethyl 3-[3-bromanyl-4-[2-(4-tert-butylphenoxy)ethoxy]-5-ethoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl 3-[3-bromanyl-4-[2-(4-tert-butylphenoxy)ethoxy]-5-ethoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl 3-[3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-ethoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: 3-[3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-ethoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-ethoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: 3-[3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-ethoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C26H30BrNO5 MolecularWeight: 516.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)Br)OCCOC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)Br)OCCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C26H30BrNO5/c1-6-30-23-16-18(14-19(17-28)25(29)31-7-2)15-22(27)24(23)33-13-12-32-21-10-8-20(9-11-21)26(3,4)5/h8-11,14-16H,6-7,12-13H2,1-5H3