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

Systemtic Name: 1-butyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-butyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-butyl-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-butyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-butyl-2,5-dimethyl-pyrrole-3-carboxylate Formula: C11H16NO2- MolecularWeight: 194.25024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C(=O)[O-])C

Isomeric SMILES

CCCCN1C(=CC(=C1C)C(=O)[O-])C

InChI

InChI=1S/C11H17NO2/c1-4-5-6-12-8(2)7-10(9(12)3)11(13)14/h7H,4-6H2,1-3H3,(H,13,14)/p-1