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

Systemtic Name: 1-[1-(2-pyridin-2-ylquinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-[2-(2-pyridyl)quinoline-4-carbonyl]-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[oxo-[2-(2-pyridinyl)-4-quinolinyl]methyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-pyridin-2-ylquinoline-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[2-(2-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=CC=CC=N5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)C(=O)O

InChI

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