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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2/c1-5-6-8(2)13-9(3)7-11(10(13)4)12(14)15/h7-8H,5-6H2,1-4H3,(H,14,15)/p-1/t8-/m0/s1