1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-phenyl-propan-1-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-phenyl-propan-1-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)benzofuran-5-yl]-3-phenyl-propan-1-ol; 2-hydroxy-2-oxo-acetate CAS Name: 1-[4,7-dimethoxy-6-[2-(4-morpholin-4-iumyl)ethoxy]-5-benzofuranyl]-3-phenyl-1-propanol; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol; 2-hydroxy-2-oxoacetate Traditional Name: 1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)benzofuran-5-yl]-3-phenyl-propan-1-ol binoxalate Formula: C27H33NO10 MolecularWeight: 531.55162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCOCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCOCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H31NO6.C2H2O4/c1-28-22-19-10-14-31-23(19)25(29-2)24(32-17-13-26-11-15-30-16-12-26)21(22)20(27)9-8-18-6-4-3-5-7-18;3-1(4)2(5)6/h3-7,10,14,20,27H,8-9,11-13,15-17H2,1-2H3;(H,3,4)(H,5,6)