4-(2-ethylbutanoyl)-1-methyl-pyrrole-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-4-8(5-2)11(14)9-6-10(12(15)16)13(3)7-9/h6-8H,4-5H2,1-3H3,(H,15,16)