AC1O6RX2

3-[[2-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid

Also Known As: (Z)-3-(2-((2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid|3-[[2-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid|3-[[2-[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]propanoic Acid|N-({[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine

Molecular Formula	C22H21NO8
Molecular Weight	427.1267 g/mol
LogP	2.2897
Topological Polar Surface Area	120.39 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	427.1267
Monoisotopic Mass	427.1267
Heavy Atoms	31
Complexity	1043.8016

Chemical Identifiers

CAS Number	864818-75-7
SMILES	COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NCCC(=O)O)OC