1-[(4-bromophenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

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

InChI

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