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

Systemtic Name: 1-[(4-bromophenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(4-pyridyl)methyl]isonipecotic acid Formula: C18H19BrN2O2 MolecularWeight: 375.25966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=NC=C3

InChI

InChI=1S/C18H19BrN2O2/c19-16-3-1-13(2-4-16)17(14-5-9-20-10-6-14)21-11-7-15(8-12-21)18(22)23/h1-6,9-10,15,17H,7-8,11-12H2,(H,22,23)