ethyl 3-(5-bromanyl-1H-indol-3-yl)-4,4,4-tris(fluoranyl)-3-oxidanyl-butanoate

Systemtic Name: ethyl 3-(5-bromanyl-1H-indol-3-yl)-4,4,4-tris(fluoranyl)-3-oxidanyl-butanoate Openeye Name: ethyl 3-(5-bromo-1H-indol-3-yl)-4,4,4-trifluoro-3-hydroxy-butanoate CAS Name: 3-(5-bromo-1H-indol-3-yl)-4,4,4-trifluoro-3-hydroxybutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-bromo-1H-indol-3-yl)-4,4,4-trifluoro-3-hydroxybutanoate Traditional Name: 3-(5-bromo-1H-indol-3-yl)-4,4,4-trifluoro-3-hydroxy-butyric acid ethyl ester Formula: C14H13BrF3NO3 MolecularWeight: 380.15713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CNC2=C1C=C(C=C2)Br)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)CC(C1=CNC2=C1C=C(C=C2)Br)(C(F)(F)F)O

InChI

InChI=1S/C14H13BrF3NO3/c1-2-22-12(20)6-13(21,14(16,17)18)10-7-19-11-4-3-8(15)5-9(10)11/h3-5,7,19,21H,2,6H2,1H3