4-(3,3-dimethylbutanoyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3,3-dimethylbutanoyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3,3-dimethylbutanoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(3,3-dimethyl-1-oxobutyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3,3-dimethylbutanoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3,3-dimethylbutanoyl)-1H-pyrrole-2-carboxylic acid Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CNC(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)C1=CNC(=C1)C(=O)O

InChI

InChI=1S/C11H15NO3/c1-11(2,3)5-9(13)7-4-8(10(14)15)12-6-7/h4,6,12H,5H2,1-3H3,(H,14,15)