[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)N(C)CCC#N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)N(C)CCC#N)C

InChI

InChI=1S/C20H23N3O3/c1-14-8-5-6-9-18(14)23-15(2)12-17(16(23)3)20(25)26-13-19(24)22(4)11-7-10-21/h5-6,8-9,12H,7,11,13H2,1-4H3