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

Systemtic Name: 1-[(4-bromophenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(4-pyridyl)methyl]nipecotic acid Formula: C18H19BrN2O2 MolecularWeight: 375.25966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)Br)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)Br)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C18H19BrN2O2/c19-16-5-3-13(4-6-16)17(14-7-9-20-10-8-14)21-11-1-2-15(12-21)18(22)23/h3-10,15,17H,1-2,11-12H2,(H,22,23)