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ZINC03546280 [2-(ethoxycarbonylamino)-2-oxoethyl],3-(ethoxymethyl)-1-b

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摘 要:ZINC03546280 [2-(ethoxycarbonylamino)-2-oxoethyl],3-(ethoxymethyl)-1-benzofuran-2-carboxylate,Canonical SMILES: CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC(=O)OCC,InChI: InChI=1/C17H19NO7/c1-3-22-9-12-11-7-5-6-8-13(11)25-15(12)16(20)24-10-14,(19)18-17(21)2
[Synonyms]
ZINC03546280
[Structure]
ZINC03546280 [2-(ethoxycarbonylamino)-2-oxoethyl],3-(ethoxymethyl)-1-b

[ Properties Computed from Structure]
Molecular Weight349.33526 [g/mol]
Molecular FormulaC17H19NO7
XLogP2.3
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count9
Tautomer Count3
Exact Mass349.116152
MonoIsotopic Mass349.116152
Topological Polar Surface Area104
Heavy Atom Count25
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl]
3-(ethoxymethyl)-1-benzofuran-2-carboxylate
Canonical SMILES: CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC(=O)OCC
InChI: InChI=1/C17H19NO7/c1-3-22-9-12-11-7-5-6-8-13(11)25-15(12)16(20)24-10-14
(19)18-17(21)23-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,18,19,21)/f/h18H

 
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