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

Systemtic Name: 1-[(2-bromophenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(3-pyridyl)methyl]nipecotic acid Formula: C18H19BrN2O2 MolecularWeight: 375.25966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CN=CC=C2)C3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CN=CC=C2)C3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C18H19BrN2O2/c19-16-8-2-1-7-15(16)17(13-5-3-9-20-11-13)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)