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

Systemtic Name: ethyl 4-butan-2-yl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-sec-butyl-1H-pyrrole-2-carboxylate CAS Name: 4-butan-2-yl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-butan-2-yl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-sec-butyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-6-8(3)11-9(4)12(14-10(11)5)13(15)16-7-2/h8,14H,6-7H2,1-5H3