1-[(2-bromophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(6-isoquinolyl)methyl]proline Formula: C21H19BrN2O2 MolecularWeight: 411.29176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4Br)C(=O)O

InChI

InChI=1S/C21H19BrN2O2/c22-18-5-2-1-4-17(18)20(24-11-3-6-19(24)21(25)26)15-7-8-16-13-23-10-9-14(16)12-15/h1-2,4-5,7-10,12-13,19-20H,3,6,11H2,(H,25,26)