1-methyl-4-(3-methylbutanoyl)pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-(3-methylbutanoyl)pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-(3-methylbutanoyl)pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-(3-methyl-1-oxobutyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-(3-methylbutanoyl)pyrrole-2-carboxylic acid Traditional Name: 4-isovaleryl-1-methyl-pyrrole-2-carboxylic acid Formula: C11H15NO3 MolecularWeight: 209.2417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO3/c1-7(2)4-10(13)8-5-9(11(14)15)12(3)6-8/h5-7H,4H2,1-3H3,(H,14,15)