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(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide,Cano

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摘 要: (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide,Canonical SMILES: CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC(=C2)C(=O)C)OCC,Isomeric SMILES: CCCCOC1=C(C=C(C=C1)\C=C\C(=O)NC2=CC=CC(=C2)C(=O)C)OCC,InChI: InChI=1/C23H27NO4/c1-4-6-14-28-21-12
[Synonyms]

[Structure]
 (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide,Cano

[ Properties Computed from Structure]
Molecular Weight381.46478 [g/mol]
Molecular FormulaC23H27NO4
XLogP4.4
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count10
Tautomer Count4
Exact Mass381.194008
MonoIsotopic Mass381.194008
Topological Polar Surface Area64.6
Heavy Atom Count28
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
Canonical SMILES: CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC(=C2)C(=O)C)OCC
Isomeric SMILES: CCCCOC1=C(C=C(C=C1)\C=C\C(=O)NC2=CC=CC(=C2)C(=O)C)OCC
InChI: InChI=1/C23H27NO4/c1-4-6-14-28-21-12-10-18(15-22(21)27-5-2)11-13-23(26)
24-20-9-7-8-19(16-20)17(3)25/h7-13,15-16H,4-6,14H2,1-3H3,(H,24,
26)/b13-11+/f/h24H

 
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