Chem
J-GLOBAL ID：200907042186902925
Nikkaji number：J926.480I
(5S)-1-(Trifluoroacetyl)-3-oxo-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole-5-carboxylic acid methyl ester
(5S)-1-(トリフルオロアセチル)-3-オキソ-3,5,6,11-テトラヒドロ-2H-インドリジノ[8,7-b]インドール-5-カルボン酸メチル
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： C18H13F3N2O4
Molecular formula furigana： C18-H13-F3-N2-O4
Molecular weight： 378.307
InChI：
InChI=1S/C18H13F3N2O4/c1-27-17(26)12-6-9-8-4-2-3-5-11(8)22-14(9)15-10(7-13(24)23(12)15)16(25)18(19,20)21/h2-5,12,22H,6-7H2,1H3/t12-/m0/s1
InChI key：
SCKJEUOXXDWDSQ-LBPRGKRZSA-N
SMILES：
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2=C(CC(=O)N12)C(=O)C(F)(F)F
Systematic name (4)：
- (5S)-1-(トリフルオロアセチル)-2,5,6,11-テトラヒドロ-3-オキソ-3H-インドリジノ[8,7-b]インドール-5α-カルボン酸メチル
- (5S)-1-(トリフルオロアセチル)-3-オキソ-3,5,6,11-テトラヒドロ-2H-インドリジノ[8,7-b]インドール-5-カルボン酸メチル
- メチル (5S)-3-オキソ-1-(2,2,2-トリフルオロアセチル)-2H,3H,5H,6H,11H-インドロ[3,2-g]インドリジン-5-カルボキシラート
- methyl (5S)-3-oxo-1-(2,2,2-trifluoroacetyl)-2H,3H,5H,6H,11H-indolo[3,2-g]indolizine-5-carboxylate
- (5S)-1-(Trifluoroacetyl)-2,5,6,11-tetrahydro-3-oxo-3H-indolizino[8,7-b]indole-5α-carboxylic acid methyl ester
- (5S)-1-(Trifluoroacetyl)-3-oxo-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole-5-carboxylic acid methyl ester
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