1-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]nipecotic acid Formula: C13H16BrN3O3 MolecularWeight: 342.18844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=NC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC(=O)NC2=NC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H16BrN3O3/c14-10-3-4-11(15-6-10)16-12(18)8-17-5-1-2-9(7-17)13(19)20/h3-4,6,9H,1-2,5,7-8H2,(H,19,20)(H,15,16,18)