9N5

(2~{R})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{N}-[(1~{E})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide

Created:2017-06-08
Last modified:  2017-07-05

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count1
Bond Count48
Aromatic Bond Count11
2D diagram of 9N5

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Chemical Component Summary

Name(2~{R})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{N}-[(1~{E})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide
Systematic Name (OpenEye OEToolkits)(2~{R})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{N}-[(1~{E})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide
FormulaC19 H21 N3 O4
Molecular Weight355.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CON=CC(C)(C)NC(=O)[CH](OC)Oc1ccc2ncc(cc2c1)C#C
SMILESOpenEye OEToolkits2.0.6CC(C)(C=NOC)NC(=O)C(OC)Oc1ccc2c(c1)cc(cn2)C#C
Canonical SMILESCACTVS3.385 CO/N=C/C(C)(C)NC(=O)[C@H](OC)Oc1ccc2ncc(cc2c1)C#C
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C
InChIInChI1.03 InChI=1S/C19H21N3O4/c1-6-13-9-14-10-15(7-8-16(14)20-11-13)26-18(24-4)17(23)22-19(2,3)12-21-25-5/h1,7-12,18H,2-5H3,(H,22,23)/b21-12+/t18-/m1/s1
InChIKeyInChI1.03 PCSOIAVOYXKQKF-AGKWGAAGSA-N

Related Resource References

Resource NameReference
PubChem 129011278