ethyl 4-butanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NC(=C1C)C(=O)OCC)C

Isomeric SMILES

CCCC(=O)C1=C(NC(=C1C)C(=O)OCC)C

InChI

InChI=1S/C13H19NO3/c1-5-7-10(15)11-8(3)12(14-9(11)4)13(16)17-6-2/h14H,5-7H2,1-4H3