ethyl (E)-2-cyano-3-[4-[4-(2,5-dimethylphenoxy)butanoyloxy]-3-ethoxy-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-[4-(2,5-dimethylphenoxy)butanoyloxy]-3-ethoxy-phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[4-(2,5-dimethylphenoxy)butanoyloxy]-3-ethoxy-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[4-(2,5-dimethylphenoxy)-1-oxobutoxy]-3-ethoxyphenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[4-(2,5-dimethylphenoxy)butanoyloxy]-3-ethoxyphenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[4-(2,5-dimethylphenoxy)butanoyloxy]-3-ethoxy-phenyl]acrylic acid ethyl ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)CCCOC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)CCCOC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C26H29NO6/c1-5-30-24-16-20(15-21(17-27)26(29)31-6-2)11-12-22(24)33-25(28)8-7-13-32-23-14-18(3)9-10-19(23)4/h9-12,14-16H,5-8,13H2,1-4H3/b21-15+