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

Systemtic Name: 1-[(4-bromophenyl)-quinolin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-quinolin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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