ethyl 2,4-dimethyl-5-(2-methylpropanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(2-methylpropanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(2-methylpropanoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-(2-methyl-1-oxopropyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(2-methylpropanoyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-isobutyryl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)C)C

InChI

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