Chem
J-GLOBAL ID:200907051131842795   Nikkaji number:J485.242G

(2S)-5-Chloro-1,2,3,4-tetrahydroquinoline-2α,4α-dicarboxylic acid 4-methyl ester

(2S)-5-クロロ-1,2,3,4-テトラヒドロキノリン-2α,4α-ジカルボン酸4-メチル
Substance type:
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
Molecular formula: C12H12ClNO4
Molecular formula furigana: C12-H12-CL-N-O4
Molecular weight: 269.680
InChI: InChI=1S/C12H12ClNO4/c1-18-12(17)6-5-9(11(15)16)14-8-4-2-3-7(13)10(6)8/h2-4,6,9,14H,5H2,1H3,(H,15,16)/t6-,9-/m0/s1
InChI key: ATHHJRDDJOWENP-RCOVLWMOSA-N
SMILES: COC(=O)[C@H]1C[C@H](Nc2cccc(Cl)c12)C(=O)O
Systematic name  (3):
  • (2S)-5-クロロ-1,2,3,4-テトラヒドロキノリン-2α,4α-ジカルボン酸4-メチル
  • (2S,4S)-5-クロロ-4-(メトキシカルボニル)-1,2,3,4-テトラヒドロキノリン-2-カルボン酸
  • (2S,4S)-5-chloro-4-(methoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
Other name (1):
  • (2S)-5-Chloro-1,2,3,4-tetrahydroquinoline-2α,4α-dicarboxylic acid 4-methyl ester
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