2-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]hexanoic acid Openeye Name: 2-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]hexanoic acid CAS Name: 2-[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]hexanoic acid Traditional Name: 2-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]hexanoic acid Formula: C12H17BrN2O3 MolecularWeight: 317.17898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=CC(=CN1C)Br

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=CC(=CN1C)Br

InChI

InChI=1S/C12H17BrN2O3/c1-3-4-5-9(12(17)18)14-11(16)10-6-8(13)7-15(10)2/h6-7,9H,3-5H2,1-2H3,(H,14,16)(H,17,18)