4-(2-ethylhexanoyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2-ethylhexanoyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2-ethylhexanoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2-ethyl-1-oxohexyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-ethylhexanoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2-ethylhexanoyl)-1H-pyrrole-2-carboxylic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-3-5-6-9(4-2)12(15)10-7-11(13(16)17)14-8-10/h7-9,14H,3-6H2,1-2H3,(H,16,17)