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

Systemtic Name: 4-(3,3-dimethylbutanoyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(3,3-dimethylbutanoyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-(3,3-dimethyl-1-oxobutyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(3,3-dimethylbutanoyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(3,3-dimethylbutanoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CN(C(=C1)C(=O)O)C

Isomeric SMILES

CC(C)(C)CC(=O)C1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C12H17NO3/c1-12(2,3)6-10(14)8-5-9(11(15)16)13(4)7-8/h5,7H,6H2,1-4H3,(H,15,16)