3-[2-[3-(6-bromanylpyridin-2-yl)propylamino]ethylamino]-2-(5-ethoxypyridin-3-yl)propanoic acid

Systemtic Name: 3-[2-[3-(6-bromanylpyridin-2-yl)propylamino]ethylamino]-2-(5-ethoxypyridin-3-yl)propanoic acid Openeye Name: 3-[2-[3-(6-bromo-2-pyridyl)propylamino]ethylamino]-2-(5-ethoxy-3-pyridyl)propanoic acid CAS Name: 3-[2-[3-(6-bromo-2-pyridinyl)propylamino]ethylamino]-2-(5-ethoxy-3-pyridinyl)propanoic acid IUPAC Name: 3-[2-[3-(6-bromopyridin-2-yl)propylamino]ethylamino]-2-(5-ethoxypyridin-3-yl)propanoic acid Traditional Name: 3-[2-[3-(6-bromo-2-pyridyl)propylamino]ethylamino]-2-(5-ethoxy-3-pyridyl)propionic acid Formula: C20H27BrN4O3 MolecularWeight: 451.35738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=CC(=C1)C(CNCCNCCCC2=NC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CCOC1=CN=CC(=C1)C(CNCCNCCCC2=NC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C20H27BrN4O3/c1-2-28-17-11-15(12-24-13-17)18(20(26)27)14-23-10-9-22-8-4-6-16-5-3-7-19(21)25-16/h3,5,7,11-13,18,22-23H,2,4,6,8-10,14H2,1H3,(H,26,27)