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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1C)C(=O)OCC)C

Isomeric SMILES

CCCCC1=C(NC(=C1C)C(=O)OCC)C

InChI

InChI=1S/C13H21NO2/c1-5-7-8-11-9(3)12(14-10(11)4)13(15)16-6-2/h14H,5-8H2,1-4H3