A1D61

(~{E})-2-(2,5-dimethoxyphenyl)-~{N}-[2-(4-hydroxyphenyl)ethyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide

Created:2024-03-22
Last modified:  2025-03-26

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count62
Aromatic Bond Count18
2D diagram of A1D61

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Chemical Component Summary

Name(~{E})-2-(2,5-dimethoxyphenyl)-~{N}-[2-(4-hydroxyphenyl)ethyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
Systematic Name (OpenEye OEToolkits)(~{E})-2-(2,5-dimethoxyphenyl)-~{N}-[2-(4-hydroxyphenyl)ethyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
FormulaC26 H27 N O6
Molecular Weight449.496
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1ccc(OC)c(c1)C(=Cc2ccc(O)c(OC)c2)C(=O)NCCc3ccc(O)cc3
SMILESOpenEye OEToolkits2.0.7COc1ccc(c(c1)C(=Cc2ccc(c(c2)OC)O)C(=O)NCCc3ccc(cc3)O)OC
Canonical SMILESCACTVS3.385 COc1ccc(OC)c(c1)\C(=C/c2ccc(O)c(OC)c2)C(=O)NCCc3ccc(O)cc3
Canonical SMILESOpenEye OEToolkits2.0.7 COc1ccc(c(c1)/C(=C\c2ccc(c(c2)OC)O)/C(=O)NCCc3ccc(cc3)O)OC
InChIInChI1.06 InChI=1S/C26H27NO6/c1-31-20-9-11-24(32-2)21(16-20)22(14-18-6-10-23(29)25(15-18)33-3)26(30)27-13-12-17-4-7-19(28)8-5-17/h4-11,14-16,28-29H,12-13H2,1-3H3,(H,27,30)/b22-14+
InChIKeyInChI1.06 ZZTHOXZXWINLQI-HYARGMPZSA-N

Related Resource References

Resource NameReference
PubChem 9549067