RDO

ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate

Created: 2022-11-29
Last modified:  2022-12-14

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count39
Aromatic Bond Count6
2D diagram of RDO

Chemical Component Summary

Nameethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
Systematic Name (OpenEye OEToolkits)ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
FormulaC15 H16 F3 N O3
Molecular Weight315.288
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F
Canonical SMILESCACTVS3.385 CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F
Canonical SMILESOpenEye OEToolkits3.1.0.0 CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F
InChIInChI1.06 InChI=1S/C15H16F3NO3/c1-2-22-14(21)7-6-13(20)19-9-8-10-11(15(16,17)18)4-3-5-12(10)19/h3-5H,2,6-9H2,1H3
InChIKeyInChI1.06 ZUBJCDWADSBMLA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 166001316