97A

4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile


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Chemical Component Summary

Name4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Identifiers4-[(2~{S},3~{S})-2-ethyl-3-oxidanyl-5-oxidanylidene-pyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile
FormulaC14 H13 F3 N2 O2
Molecular Weight298.26
TypeNON-POLYMER
Isomeric SMILESCC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O
InChIInChI=1S/C14H13F3N2O2/c1-2-11-12(20)6-13(21)19(11)9-4-3-8(7-18)10(5-9)14(15,16)17/h3-5,11-12,20H,2,6H2,1H3/t11-,12-/m0/s1
InChIKeyLJQBTMVNFWIQQC-RYUDHWBXSA-N

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count2
Bond Count35
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL4088914
PubChem 59556974
ChEMBL CHEMBL4088914