3-[3-[3-(6-bromanylpyridin-2-yl)propyl]-2-oxidanylidene-imidazolidin-1-yl]-2-(5-ethoxypyridin-3-yl)propanoic acid

Systemtic Name: 3-[3-[3-(6-bromanylpyridin-2-yl)propyl]-2-oxidanylidene-imidazolidin-1-yl]-2-(5-ethoxypyridin-3-yl)propanoic acid Openeye Name: 3-[3-[3-(6-bromo-2-pyridyl)propyl]-2-oxo-imidazolidin-1-yl]-2-(5-ethoxy-3-pyridyl)propanoic acid CAS Name: 3-[3-[3-(6-bromo-2-pyridinyl)propyl]-2-oxo-1-imidazolidinyl]-2-(5-ethoxy-3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[3-(6-bromopyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-2-(5-ethoxypyridin-3-yl)propanoic acid Traditional Name: 3-[3-[3-(6-bromo-2-pyridyl)propyl]-2-keto-imidazolidin-1-yl]-2-(5-ethoxy-3-pyridyl)propionic acid Formula: C21H25BrN4O4 MolecularWeight: 477.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=CC(=C1)C(CN2CCN(C2=O)CCCC3=NC(=CC=C3)Br)C(=O)O

Isomeric SMILES

CCOC1=CN=CC(=C1)C(CN2CCN(C2=O)CCCC3=NC(=CC=C3)Br)C(=O)O

InChI

InChI=1S/C21H25BrN4O4/c1-2-30-17-11-15(12-23-13-17)18(20(27)28)14-26-10-9-25(21(26)29)8-4-6-16-5-3-7-19(22)24-16/h3,5,7,11-13,18H,2,4,6,8-10,14H2,1H3,(H,27,28)