8-(1H-pyrrol-2-ylcarbonylamino)octanoic acid

Systemtic Name: 8-(1H-pyrrol-2-ylcarbonylamino)octanoic acid Openeye Name: 8-(1H-pyrrole-2-carbonylamino)octanoic acid CAS Name: 8-[[oxo(1H-pyrrol-2-yl)methyl]amino]octanoic acid IUPAC Name: 8-(1H-pyrrole-2-carbonylamino)octanoic acid Traditional Name: 8-(1H-pyrrole-2-carbonylamino)caprylic acid Formula: C13H20N2O3 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

C1=CNC(=C1)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C13H20N2O3/c16-12(17)8-4-2-1-3-5-9-15-13(18)11-7-6-10-14-11/h6-7,10,14H,1-5,8-9H2,(H,15,18)(H,16,17)