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Oprea1_153840,ZINC00938768,ST5202108, [3-(phenoxy)phenyl]methyl 2,6-di

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摘 要:Oprea1_153840,ZINC00938768,ST5202108, [3-(phenoxy)phenyl]methyl 2,6-dimethoxybenzoate,Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3,InChI: InChI=1/C22H20O5/c1-24-19-12-7-13-20(25-2)21(19)22(23)26-15-16-8-6-11-18,(14-16)27-17-9
[Synonyms]
Oprea1_153840
ZINC00938768
ST5202108

[Structure]
Oprea1_153840,ZINC00938768,ST5202108, [3-(phenoxy)phenyl]methyl 2,6-di

[ Properties Computed from Structure]
Molecular Weight364.3912 [g/mol]
Molecular FormulaC22H20O5
XLogP5
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count8
Exact Mass364.131074
MonoIsotopic Mass364.131074
Topological Polar Surface Area54
Heavy Atom Count27
Formal Charge0
Complexity436
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: [3-(phenoxy)phenyl]methyl 2,6-dimethoxybenzoate
Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI: InChI=1/C22H20O5/c1-24-19-12-7-13-20(25-2)21(19)22(23)26-15-16-8-6-11-18
(14-16)27-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3

 
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