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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)C(=O)OCC)C

InChI

InChI=1S/C13H21NO2/c1-5-7-8-14-10(3)9-12(11(14)4)13(15)16-6-2/h9H,5-8H2,1-4H3