1-[1-(6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-[6-bromo-2-(3-pyridyl)quinoline-4-carbonyl]-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(6-bromo-2-pyridin-3-ylquinoline-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[6-bromo-2-(3-pyridyl)quinoline-4-carbonyl]-4-piperidyl]nipecotic acid Formula: C26H27BrN4O3 MolecularWeight: 523.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CN=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CN=CC=C5)C(=O)O

InChI

InChI=1S/C26H27BrN4O3/c27-19-5-6-23-21(13-19)22(14-24(29-23)17-3-1-9-28-15-17)25(32)30-11-7-20(8-12-30)31-10-2-4-18(16-31)26(33)34/h1,3,5-6,9,13-15,18,20H,2,4,7-8,10-12,16H2,(H,33,34)