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

Systemtic Name: (3-methylphenyl)methyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: m-tolylmethyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid (3-methylbenzyl) ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-15-6-5-7-18(10-15)14-26-21(24)20(13-22)12-19-11-16(2)23(17(19)3)8-9-25-4/h5-7,10-12H,8-9,14H2,1-4H3/b20-12+