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

Systemtic Name: 1-[(4-bromophenyl)-quinolin-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-quinolin-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2-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=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4C=C3

InChI

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