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

Systemtic Name: 2,5-dimethyl-1-(3-methylbutyl)pyrrole-3-carboxylate Openeye Name: 1-isopentyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolecarboxylate IUPAC Name: 2,5-dimethyl-1-(3-methylbutyl)pyrrole-3-carboxylate Traditional Name: 1-isoamyl-2,5-dimethyl-pyrrole-3-carboxylate Formula: C12H18NO2- MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)[O-]

InChI

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