2,5-dimethyl-1-pentan-3-yl-pyrrole-3-carboxylate

Systemtic Name: 2,5-dimethyl-1-pentan-3-yl-pyrrole-3-carboxylate Openeye Name: 1-(1-ethylpropyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-pentan-3-yl-3-pyrrolecarboxylate IUPAC Name: 2,5-dimethyl-1-pentan-3-ylpyrrole-3-carboxylate Traditional Name: 1-(1-ethylpropyl)-2,5-dimethyl-pyrrole-3-carboxylate Formula: C12H18NO2- MolecularWeight: 208.27682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=CC(=C1C)C(=O)[O-])C

Isomeric SMILES

CCC(CC)N1C(=CC(=C1C)C(=O)[O-])C

InChI

InChI=1S/C12H19NO2/c1-5-10(6-2)13-8(3)7-11(9(13)4)12(14)15/h7,10H,5-6H2,1-4H3,(H,14,15)/p-1