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

Systemtic Name: 4-hexanoyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-hexanoyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(1-oxohexyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-hexanoyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-caproyl-1H-pyrrole-2-carboxylic acid Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CNC(=C1)C(=O)O

Isomeric SMILES

CCCCCC(=O)C1=CNC(=C1)C(=O)O

InChI

InChI=1S/C11H15NO3/c1-2-3-4-5-10(13)8-6-9(11(14)15)12-7-8/h6-7,12H,2-5H2,1H3,(H,14,15)