Chem
J-GLOBAL ID:200907076294357188
Nikkaji number:J485.251F
(2R)-7-Chloro-5-iodo-1,2,3,4-tetrahydroquinoline-2β,4α-dicarboxylic acid 4-methyl ester
(2R)-7-クロロ-5-ヨード-1,2,3,4-テトラヒドロキノリン-2β,4α-ジカルボン酸4-メチル
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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:
C12 H11 ClINO4
Molecular formula furigana:
C12-H11-CL-I-N-O4
Molecular weight:
395.580
InChI:
InChI=1S/C12H11ClINO4/c1-19-12(18)6-4-9(11(16)17)15-8-3-5(13)2-7(14)10(6)8/h2-3,6,9,15H,4H2,1H3,(H,16,17)/t6-,9+/m0/s1
InChI key:
FBBUJQUXLXQMFM-IMTBSYHQSA-N
SMILES:
COC(=O)[C@H]1C[C@@H](Nc2cc(Cl)cc(I)c12)C(=O)O
Systematic name (3):
(2R)-7-クロロ-5-ヨード-1,2,3,4-テトラヒドロキノリン-2β,4α-ジカルボン酸4-メチル
(2R,4S)-7-クロロ-5-ヨード-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
(2R,4S)-7-chloro-5-iodo-4-(methoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
Other name (1):
(2R)-7-Chloro-5-iodo-1,2,3,4-tetrahydroquinoline-2β,4α-dicarboxylic acid 4-methyl ester
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