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

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

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(C)C)C

InChI

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