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Oxprenolol TMS derivative N-propan-2-yl-3-(2-prop-2-enoxyphenoxy)-2-tr

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摘 要:Oxprenolol TMS derivative N-propan-2-yl-3-(2-prop-2-enoxyphenoxy)-2-trimethylsilyloxypropan-1-,amine,Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1OCC=C)O[Si](C)(C)C,InChI: InChI=1/C18H31NO3Si/c1-7-12-20-17-10-8-9-11-18(17)21-14-16(13-19-15(2)3),22-23(4,5)
[Synonyms]
Oxprenolol TMS derivative
[Structure]
Oxprenolol TMS derivative N-propan-2-yl-3-(2-prop-2-enoxyphenoxy)-2-tr

[ Properties Computed from Structure]
Molecular Weight337.52914 [g/mol]
Molecular FormulaC18H31NO3Si
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count11
Exact Mass337.20732
MonoIsotopic Mass337.20732
Topological Polar Surface Area39.7
Heavy Atom Count23
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-propan-2-yl-3-(2-prop-2-enoxyphenoxy)-2-trimethylsilyloxypropan-1-
amine
Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1OCC=C)O[Si](C)(C)C
InChI: InChI=1/C18H31NO3Si/c1-7-12-20-17-10-8-9-11-18(17)21-14-16(13-19-15(2)3)
22-23(4,5)6/h7-11,15-16,19H,1,12-14H2,2-6H3

 
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