1-[(3-bromophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(6-isoquinolyl)methyl]proline Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

InChI

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