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

Systemtic Name: 1-[(2-bromophenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(4-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=NC=C2)C3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

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

InChI

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