1-[(4-bromophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O2/c22-18-7-5-14(6-8-18)20(24-11-1-2-19(24)21(25)26)16-3-4-17-13-23-10-9-15(17)12-16/h3-10,12-13,19-20H,1-2,11H2,(H,25,26)