Chem
J-GLOBAL ID：201607003054328839
Nikkaji number：J3.524.720C
(S)-3-Cyclohexylmethyl-3-(1-methyl-1H-indole-3-yl)-1-pentanone
(S)-3-シクロヘキシルメチル-3-(1-メチル-1H-インドール-3-イル)-1-ペンタノン
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： C21H29NO
Molecular formula furigana： C21-H29-N-O
Molecular weight： 311.469
InChI：
InChI=1S/C21H29NO/c1-3-21(13-14-23,15-17-9-5-4-6-10-17)19-16-22(2)20-12-8-7-11-18(19)20/h7-8,11-12,14,16-17H,3-6,9-10,13,15H2,1-2H3/t21-/m1/s1
InChI key：
UXJLSCDUNXEJIK-OAQYLSRUSA-N
SMILES：
CC[C@@](CC=O)(CC1CCCCC1)c1cn(C)c2ccccc12
Systematic name (3)：
- (S)-3-シクロヘキシルメチル-3-(1-メチル-1H-インドール-3-イル)-1-ペンタノン
- (3S)-3-(シクロヘキシルメチル)-3-(1-メチル-1H-インドール-3-イル)ペンタナール
- (3S)-3-(cyclohexylmethyl)-3-(1-methyl-1H-indol-3-yl)pentanal
- (S)-3-Cyclohexylmethyl-3-(1-methyl-1H-indole-3-yl)-1-pentanone
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