(3S)-1-(2-pyridin-4-ylethanoyl)piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(2-pyridin-4-ylethanoyl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-pyridyl)acetyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-(1-oxo-2-pyridin-4-ylethyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(4-pyridyl)acetyl]nipecotic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C13H16N2O3/c16-12(8-10-3-5-14-6-4-10)15-7-1-2-11(9-15)13(17)18/h3-6,11H,1-2,7-9H2,(H,17,18)/t11-/m0/s1