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

Systemtic Name: 1-[(3-bromophenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C18H19BrN2O2 MolecularWeight: 375.25966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC=CC=N3

InChI

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