2-(2-bromanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CBr)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CBr)C(=O)O

InChI

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