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

Systemtic Name: 1-[(2S)-butan-2-yl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-[(1S)-1-methylpropyl]pyrrole-3-carboxylic acid CAS Name: 1-[(2S)-butan-2-yl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-[(1S)-1-methylpropyl]pyrrole-3-carboxylic acid Formula: C11H17NO2 MolecularWeight: 195.25818

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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)/t7-/m0/s1