(3-methylphenyl)methyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: (3-methylphenyl)methyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: m-tolylmethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)acrylic acid (3-methylbenzyl) ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)OCC3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)OCC3=CC=CC(=C3)C)C

InChI

InChI=1S/C26H26N2O3/c1-5-30-25-11-9-24(10-12-25)28-19(3)14-22(20(28)4)15-23(16-27)26(29)31-17-21-8-6-7-18(2)13-21/h6-15H,5,17H2,1-4H3/b23-15+