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

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

Systemtic Name:1-[(2S)-butan-2-yl]-2,5-dimethyl-pyrrole-3-carboxylate
Openeye Name:2,5-dimethyl-1-[(1S)-1-methylpropyl]pyrrole-3-carboxylate
CAS Name:1-[(2S)-butan-2-yl]-2,5-dimethyl-3-pyrrolecarboxylate
IUPAC Name:1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole-3-carboxylate
Traditional Name:2,5-dimethyl-1-[(1S)-1-methylpropyl]pyrrole-3-carboxylate
Formula: C11H16NO2-
MolecularWeight: 194.25024
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H17NO2/c1-5-7(2)12-8(3)6-10(9(12)4)11(13)14/h6-7H,5H2,1-4H3,(H,13,14)/p-1/t7-/m0/s1


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