[1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=CC=CN2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=CC=CN2C

InChI

InChI=1S/C17H19NO3/c1-11-7-8-12(2)14(10-11)16(19)13(3)21-17(20)15-6-5-9-18(15)4/h5-10,13H,1-4H3