methyl 4-[5-fluoranyl-2-(trifluoromethyl)-1H-indol-3-yl]butanoate

Systemtic Name: methyl 4-[5-fluoranyl-2-(trifluoromethyl)-1H-indol-3-yl]butanoate Openeye Name: methyl 4-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]butanoate CAS Name: 4-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]butanoate Traditional Name: 4-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]butyric acid methyl ester Formula: C14H13F4NO2 MolecularWeight: 303.252133

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=C(NC2=C1C=C(C=C2)F)C(F)(F)F

Isomeric SMILES

COC(=O)CCCC1=C(NC2=C1C=C(C=C2)F)C(F)(F)F

InChI

InChI=1S/C14H13F4NO2/c1-21-12(20)4-2-3-9-10-7-8(15)5-6-11(10)19-13(9)14(16,17)18/h5-7,19H,2-4H2,1H3