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

Systemtic Name: 1-[(3-bromophenyl)-quinolin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-quinolin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2-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=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4C=C3

InChI

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