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N-(4-chlorophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2

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摘 要: N-(4-chlorophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-,enamide,Canonical SMILES: CC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)OC,InChI: InChI=1/C20H19ClN2O3/c1-13(2)26-18-9-4-14(11-19(18)25-3)10-15(12-22)20,(24)23-17-7-5-16(21)6
[Synonyms]

[Structure]
 N-(4-chlorophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2

[ Properties Computed from Structure]
Molecular Weight370.82946 [g/mol]
Molecular FormulaC20H19ClN2O3
XLogP5
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count2
Exact Mass370.10842
MonoIsotopic Mass370.10842
Topological Polar Surface Area71.4
Heavy Atom Count26
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(4-chlorophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-
enamide
Canonical SMILES: CC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)OC
InChI: InChI=1/C20H19ClN2O3/c1-13(2)26-18-9-4-14(11-19(18)25-3)10-15(12-22)20
(24)23-17-7-5-16(21)6-8-17/h4-11,13H,1-3H3,(H,23,24)/f/h23H

 
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