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

Systemtic Name: (4-methylphenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: p-tolylmethyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (4-methylbenzyl) ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(=CC2=C(N(C(=C2)C)C3CC3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)/C(=C/C2=C(N(C(=C2)C)C3CC3)C)/C#N

InChI

InChI=1S/C21H22N2O2/c1-14-4-6-17(7-5-14)13-25-21(24)19(12-22)11-18-10-15(2)23(16(18)3)20-8-9-20/h4-7,10-11,20H,8-9,13H2,1-3H3/b19-11+