Chemical Component Summary

Name5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile
Identifiers5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile
FormulaC17 H21 F N2 O2
Molecular Weight304.359
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F
InChIInChI=1S/C17H21FN2O2/c1-17(2,3)13-9-16(21)20(11-13)6-7-22-14-4-5-15(18)12(8-14)10-19/h4-5,8,13H,6-7,9,11H2,1-3H3/t13-/m1/s1
InChIKeyZXBQUZQFTWNQON-CYBMUJFWSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count44
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 122707119