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

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

Isomeric SMILES

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

InChI

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