2-methylpropyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: 2-methylpropyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: isobutyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid isobutyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C13H19NO3/c1-7(2)6-17-13(16)12-8(3)11(10(5)15)9(4)14-12/h7,14H,6H2,1-5H3