1-[(3-bromophenyl)-quinolin-4-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-quinolin-4-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(4-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(4-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=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)Br)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

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