2,5-dimethyl-1-(2-methylpropyl)pyrrole-3-carboxylate

Systemtic Name: 2,5-dimethyl-1-(2-methylpropyl)pyrrole-3-carboxylate Openeye Name: 1-isobutyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolecarboxylate IUPAC Name: 2,5-dimethyl-1-(2-methylpropyl)pyrrole-3-carboxylate Traditional Name: 1-isobutyl-2,5-dimethyl-pyrrole-3-carboxylate Formula: C11H16NO2- MolecularWeight: 194.25024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C(=O)[O-]

InChI

InChI=1S/C11H17NO2/c1-7(2)6-12-8(3)5-10(9(12)4)11(13)14/h5,7H,6H2,1-4H3,(H,13,14)/p-1