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

Systemtic Name: 1-[(2-bromophenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(2-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=CC=C2Br)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC=CC=N3)C(=O)O

InChI

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