(5-ethanoyl-2-ethoxy-phenyl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(=CC2=CC=C(C=C2)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-4-26-21-10-9-18(16(3)24)12-20(21)14-27-22(25)19(13-23)11-17-7-5-15(2)6-8-17/h5-12H,4,14H2,1-3H3/b19-11+