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

Systemtic Name: (4-cyanophenyl)methyl (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (4-cyanophenyl)methyl (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid (4-cyanobenzyl) ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2OC)C)C=C(C#N)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2OC)C)/C=C(\C#N)/C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H21N3O3/c1-17-12-21(18(2)28(17)23-6-4-5-7-24(23)30-3)13-22(15-27)25(29)31-16-20-10-8-19(14-26)9-11-20/h4-13H,16H2,1-3H3/b22-13+