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[3-[[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl],3-

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摘 要: [3-[[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl],3-(4-methoxyphenyl)prop-2-enoate,Canonical SMILES: CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C=CC3=CC=C(C=C3)OC,InChI: InChI=1/C27H26N2O5/c1-19-6-4-7-20(2)27(19)33-18-25(30)29-2
[Synonyms]

[Structure]
 [3-[[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl],3-

[ Properties Computed from Structure]
Molecular Weight458.50574 [g/mol]
Molecular FormulaC27H26N2O5
XLogP5.8
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count10
Tautomer Count2
Exact Mass458.184172
MonoIsotopic Mass458.184172
Topological Polar Surface Area86.2
Heavy Atom Count34
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count2
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [3-[[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]
3-(4-methoxyphenyl)prop-2-enoate
Canonical SMILES: CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C=CC3=CC=C(C=C3)OC
InChI: InChI=1/C27H26N2O5/c1-19-6-4-7-20(2)27(19)33-18-25(30)29-28-17-22-8-5-9-
24(16-22)34-26(31)15-12-21-10-13-23(32-3)14-11-21/h4-17H,18H2,1-3H3,(H,
29,30)/f/h29H

 
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