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

Systemtic Name: (4-methylphenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: p-tolylmethyl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (4-methylbenzyl) ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(=CC2=C(N(C(=C2)C)CC(C)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)/C(=C/C2=C(N(C(=C2)C)CC(C)C)C)/C#N

InChI

InChI=1S/C22H26N2O2/c1-15(2)13-24-17(4)10-20(18(24)5)11-21(12-23)22(25)26-14-19-8-6-16(3)7-9-19/h6-11,15H,13-14H2,1-5H3/b21-11+