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

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

Isomeric SMILES

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

InChI

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