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

Systemtic Name: 1-[(3-bromophenyl)-quinolin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(4-quinolyl)methyl]isonipecotic acid Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC=NC4=CC=CC=C34

InChI

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