SRH

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

Created: 2020-11-30
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count6
2D diagram of SRH

Chemical Component Summary

Nameethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Systematic Name (OpenEye OEToolkits)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
FormulaC14 H17 N O3
Molecular Weight247.29
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCOC(=O)CCC(=O)N1CCc2ccccc12
SMILESOpenEye OEToolkits2.0.7CCOC(=O)CCC(=O)N1CCc2c1cccc2
Canonical SMILESCACTVS3.385 CCOC(=O)CCC(=O)N1CCc2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.7 CCOC(=O)CCC(=O)N1CCc2c1cccc2
InChIInChI1.03 InChI=1S/C14H17NO3/c1-2-18-14(17)8-7-13(16)15-10-9-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3
InChIKeyInChI1.03 YTMPPLAKDQKOFM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2140509