Chem
J-GLOBAL ID：201607020249836067
Nikkaji number：J3.524.730K
(S)-3-Methyl-3-(1-isopropyl-1H-indole-3-yl)-1-heptanone
(S)-3-メチル-3-(1-イソプロピル-1H-インドール-3-イル)-1-ヘプタノン
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： C19H27NO
Molecular formula furigana： C19-H27-N-O
Molecular weight： 285.431
InChI：
InChI=1S/C19H27NO/c1-5-6-11-19(4,12-13-21)17-14-20(15(2)3)18-10-8-7-9-16(17)18/h7-10,13-15H,5-6,11-12H2,1-4H3/t19-/m0/s1
InChI key：
MRHLOXKVSYLEOJ-IBGZPJMESA-N
SMILES：
CCCC[C@@](C)(CC=O)c1cn(C(C)C)c2ccccc12
Systematic name (3)：
- (S)-3-メチル-3-(1-イソプロピル-1H-インドール-3-イル)-1-ヘプタノン
- (3S)-3-メチル-3-[1-(プロパン-2-イル)-1H-インドール-3-イル]ヘプタナール
- (3S)-3-methyl-3-[1-(propan-2-yl)-1H-indol-3-yl]heptanal
- (S)-3-Methyl-3-(1-isopropyl-1H-indole-3-yl)-1-heptanone
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