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

Systemtic Name: 1-[(3-bromophenyl)-quinolin-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-quinolin-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2-quinolyl)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=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

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