Chem
J-GLOBAL ID：201607016400461138
Nikkaji number：J3.524.728I
(S)-3-Ethyl-3-(1-methyl-5-fluoro-1H-indole-3-yl)-1-heptanone
(3S)-3-エチル-3-(5-フルオロ-1-メチル-1H-インドール-3-イル)ヘプタナール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C18H24FNO
Molecular formula furigana： C18-H24-F-N-O
Molecular weight： 289.394
InChI：
InChI=1S/C18H24FNO/c1-4-6-9-18(5-2,10-11-21)16-13-20(3)17-8-7-14(19)12-15(16)17/h7-8,11-13H,4-6,9-10H2,1-3H3/t18-/m0/s1
InChI key：
CXOVTABRXQCDTA-SFHVURJKSA-N
SMILES：
CCCC[C@@](CC)(CC=O)c1cn(C)c2ccc(F)cc12
Systematic name (3)：
- (S)-3-エチル-3-(1-メチル-5-フルオロ-1H-インドール-3-イル)-1-ヘプタノン
- (3S)-3-エチル-3-(5-フルオロ-1-メチル-1H-インドール-3-イル)ヘプタナール
- (3S)-3-ethyl-3-(5-fluoro-1-methyl-1H-indol-3-yl)heptanal
- (S)-3-Ethyl-3-(1-methyl-5-fluoro-1H-indole-3-yl)-1-heptanone
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