Chem
J-GLOBAL ID：200907051406139410
Nikkaji number：J1.460.956C
W-1807
(4S)-4-(2-クロロフェニル)-1,4-ジヒドロ-1-エチル-6-メチルピリジン-2,3,5-トリカルボン酸5-イソプロピル
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： C20H22ClNO6
Molecular formula furigana： C20-H22-CL-N-O6
Molecular weight： 407.850
InChI：
InChI=1S/C20H22ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10,15H,5H2,1-4H3,(H,23,24)(H,25,26)/t15-/m1/s1
InChI key：
OIDMNXKQVHXWLV-OAHLLOKOSA-N
SMILES：
CCN1C(=C([C@H](C(=C1C(=O)O)C(=O)O)c1ccccc1Cl)C(=O)OC(C)C)C
Systematic name (3)：
- (4S)-4-(2-クロロフェニル)-1,4-ジヒドロ-1-エチル-6-メチルピリジン-2,3,5-トリカルボン酸5-イソプロピル
- (4S)-4-(2-クロロフェニル)-1-エチル-6-メチル-5-[(プロパン-2-イルオキシ)カルボニル]-1,4-ジヒドロピリジン-2,3-ジカルボン酸
- (4S)-4-(2-chlorophenyl)-1-ethyl-6-methyl-5-[(propan-2-yloxy)carbonyl]-1,4-dihydropyridine-2,3-dicarboxylic acid
- (4S)-4-(2-Chlorophenyl)-1,4-dihydro-1-ethyl-6-methylpyridine-2,3,5-tricarboxylic acid 5-isopropyl ester
- W-1807
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