2,5-dimethyl-1-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxylate

Systemtic Name: 2,5-dimethyl-1-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxylate Openeye Name: 1-[(1S)-1,2-dimethylpropyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[(2S)-3-methylbutan-2-yl]-3-pyrrolecarboxylate IUPAC Name: 2,5-dimethyl-1-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxylate Traditional Name: 1-[(1S)-1,2-dimethylpropyl]-2,5-dimethyl-pyrrole-3-carboxylate Formula: C12H18NO2- MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C(C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1[C@@H](C)C(C)C)C)C(=O)[O-]

InChI

InChI=1S/C12H19NO2/c1-7(2)9(4)13-8(3)6-11(10(13)5)12(14)15/h6-7,9H,1-5H3,(H,14,15)/p-1/t9-/m0/s1