LXS

3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione

Created: 2019-03-15
Last modified:  2020-04-29

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count4
Bond Count40
Aromatic Bond Count6
2D diagram of LXS
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Chemical Component Summary

Name3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
FormulaC15 H16 N2 O4
Molecular Weight288.299
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCN1C(=O)CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=O
SMILESOpenEye OEToolkits2.0.6CCN1C(=O)CN(C1=O)C2C3c4ccccc4C(C2O)O3
Canonical SMILESCACTVS3.385 CCN1C(=O)CN([C@H]2[C@H](O)[C@@H]3O[C@H]2c4ccccc34)C1=O
Canonical SMILESOpenEye OEToolkits2.0.6 CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3
InChIInChI1.03 InChI=1S/C15H16N2O4/c1-2-16-10(18)7-17(15(16)20)11-12(19)14-9-6-4-3-5-8(9)13(11)21-14/h3-6,11-14,19H,2,7H2,1H3/t11-,12-,13-,14+/m0/s1
InChIKeyInChI1.03 GHZIAZMBFWRVPL-XDQVBPFNSA-N

Related Resource References

Resource NameReference
PubChem 146025944