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Oprea1_134838,MLS001213108,ASN 03433078,SMR000503340,N-(4-Benzoylamino

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摘 要:Oprea1_134838,MLS001213108,ASN 03433078,SMR000503340,N-(4-Benzoylamino-2,5-diethoxy-phenyl)-2-methoxy-benzamide, N-[4-(benzoylamino)-2,5-diethoxyphenyl]-2-methoxybenzamide,Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C3=CC=CC=C3OC,In
[Synonyms]
Oprea1_134838
MLS001213108
ASN 03433078
SMR000503340
N-(4-Benzoylamino-2,5-diethoxy-phenyl)-2-methoxy-benzamide

[Structure]
Oprea1_134838,MLS001213108,ASN 03433078,SMR000503340,N-(4-Benzoylamino

[ Properties Computed from Structure]
Molecular Weight434.48434 [g/mol]
Molecular FormulaC25H26N2O5
XLogP4.1
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count9
Tautomer Count4
Exact Mass434.184172
MonoIsotopic Mass434.184172
Topological Polar Surface Area85.9
Heavy Atom Count32
Formal Charge0
Complexity595
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: N-[4-(benzoylamino)-2,5-diethoxyphenyl]-2-methoxybenzamide
Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C3=CC=CC=C3OC
InChI: InChI=1/C25H26N2O5/c1-4-31-22-16-20(27-25(29)18-13-9-10-14-21(18)30-3)23
(32-5-2)15-19(22)26-24(28)17-11-7-6-8-12-17/h6-16H,4-5H2,1-3H3,(H,26,
28)(H,27,29)/f/h26-27H

 
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