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

Systemtic Name: 1-[(3-bromophenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-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=C2)Br)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

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

InChI

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