2-[4-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-bromo-1-methyl-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-bromo-1-methylpyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-bromo-1-methyl-pyrrole-2-carbonyl)piperazino]acetic acid Formula: C12H16BrN3O3 MolecularWeight: 330.17774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCN(CC2)CC(=O)O)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCN(CC2)CC(=O)O)Br

InChI

InChI=1S/C12H16BrN3O3/c1-14-7-9(13)6-10(14)12(19)16-4-2-15(3-5-16)8-11(17)18/h6-7H,2-5,8H2,1H3,(H,17,18)