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

Systemtic Name: 1-[(4-bromophenyl)-quinolin-4-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(4-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(4-quinolyl)methyl]pipecolinic acid Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C22H21BrN2O2/c23-16-10-8-15(9-11-16)21(25-14-4-3-7-20(25)22(26)27)18-12-13-24-19-6-2-1-5-17(18)19/h1-2,5-6,8-13,20-21H,3-4,7,14H2,(H,26,27)