1-[1-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-[2-(3-pyridyl)quinoline-4-carbonyl]-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[2-(3-pyridyl)quinoline-4-carbonyl]-4-piperidyl]nipecotic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5)C(=O)O

InChI

InChI=1S/C26H28N4O3/c31-25(29-13-9-20(10-14-29)30-12-4-6-19(17-30)26(32)33)22-15-24(18-5-3-11-27-16-18)28-23-8-2-1-7-21(22)23/h1-3,5,7-8,11,15-16,19-20H,4,6,9-10,12-14,17H2,(H,32,33)