JGU

7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one

Created: 2022-01-26
Last modified:  2022-08-10

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Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count0
Bond Count77
Aromatic Bond Count23
2D diagram of JGU
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Chemical Component Summary

Name7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
Systematic Name (OpenEye OEToolkits)7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
FormulaC33 H31 F2 N O6
Molecular Weight575.599
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN1C=C(c2oc(cc2C1=O)c3cc(C)c(OCCO)c(C)c3)c4cc(ccc4Oc5ccc(F)cc5F)C(C)(C)O
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1OCCO)C)c2cc3c(o2)C(=CN(C3=O)C)c4cc(ccc4Oc5ccc(cc5F)F)C(C)(C)O
Canonical SMILESCACTVS3.385 CN1C=C(c2oc(cc2C1=O)c3cc(C)c(OCCO)c(C)c3)c4cc(ccc4Oc5ccc(F)cc5F)C(C)(C)O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(cc(c1OCCO)C)c2cc3c(o2)C(=CN(C3=O)C)c4cc(ccc4Oc5ccc(cc5F)F)C(C)(C)O
InChIInChI1.03 InChI=1S/C33H31F2NO6/c1-18-12-20(13-19(2)30(18)40-11-10-37)29-16-24-31(42-29)25(17-36(5)32(24)38)23-14-21(33(3,4)39)6-8-27(23)41-28-9-7-22(34)15-26(28)35/h6-9,12-17,37,39H,10-11H2,1-5H3
InChIKeyInChI1.03 MCDGNYQOWDNEJL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 164607220