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

Systemtic Name: 1-[(4-bromophenyl)-quinolin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

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

InChI

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