(2,6-dimethylphenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (2,6-dimethylphenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (2,6-dimethylphenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid (2,6-dimethylphenyl) ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=C(C=CC=C2C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=C(C=CC=C2C)C

InChI

InChI=1S/C22H23NO3/c1-4-5-13-25-20-11-9-18(10-12-20)14-19(15-23)22(24)26-21-16(2)7-6-8-17(21)3/h6-12,14H,4-5,13H2,1-3H3/b19-14+