1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-pyridyl(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-pyridyl(1H-pyrrol-2-yl)methyl]isonipecotic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=CC=CN3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=CC=CN3

InChI

InChI=1S/C16H19N3O2/c20-16(21)13-5-10-19(11-6-13)15(14-2-1-7-18-14)12-3-8-17-9-4-12/h1-4,7-9,13,15,18H,5-6,10-11H2,(H,20,21)