ethyl 5-butyl-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-butyl-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-butyl-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-butyl-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-butyl-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C12H19NO2 MolecularWeight: 209.28476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(N1)C)C(=O)OCC

Isomeric SMILES

CCCCC1=CC(=C(N1)C)C(=O)OCC

InChI

InChI=1S/C12H19NO2/c1-4-6-7-10-8-11(9(3)13-10)12(14)15-5-2/h8,13H,4-7H2,1-3H3