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

Systemtic Name: 4-octanoyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-octanoyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(1-oxooctyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-octanoyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-caprylyl-1H-pyrrole-2-carboxylic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CNC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)C1=CNC(=C1)C(=O)O

InChI

InChI=1S/C13H19NO3/c1-2-3-4-5-6-7-12(15)10-8-11(13(16)17)14-9-10/h8-9,14H,2-7H2,1H3,(H,16,17)