methyl 4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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