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

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

Isomeric SMILES

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

InChI

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