(2,5-dimethylphenyl)methyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: (2,5-dimethylphenyl)methyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: (2,5-dimethylphenyl)methyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid (2,5-dimethylbenzyl) ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H21NO3/c1-4-24-20-9-7-17(8-10-20)12-18(13-22)21(23)25-14-19-11-15(2)5-6-16(19)3/h5-12H,4,14H2,1-3H3/b18-12+