1-(2-bromanylethanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-bromanylethanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-(2-bromoacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-(2-bromo-1-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-(2-bromoacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-(2-bromoacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=CC=CC=C21)C(=O)CBr)C(=O)O

Isomeric SMILES

C1C(NC(C2=CC=CC=C21)C(=O)CBr)C(=O)O

InChI

InChI=1S/C12H12BrNO3/c13-6-10(15)11-8-4-2-1-3-7(8)5-9(14-11)12(16)17/h1-4,9,11,14H,5-6H2,(H,16,17)