4-hexanoyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-hexanoyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-hexanoyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-(1-oxohexyl)-2-pyrrolecarboxylic acid IUPAC Name: 4-hexanoyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-caproyl-1-methyl-pyrrole-2-carboxylic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CN(C(=C1)C(=O)O)C

Isomeric SMILES

CCCCCC(=O)C1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C12H17NO3/c1-3-4-5-6-11(14)9-7-10(12(15)16)13(2)8-9/h7-8H,3-6H2,1-2H3,(H,15,16)