Chem
J-GLOBAL ID:200907016547588952   Nikkaji number:J862.285J

4β-(3-Nitrophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylic acid 3-(2-methoxyethyl)5-[(E)-3-phenyl-2-propenyl] ester

4β-(3-ニトロフェニル)-1,4-ジヒドロ-2,6-ジメチルピリジン-3,5-ジカルボン酸3-(2-メトキシエチル)5-[(E)-3-フェニル-2-プロペニル]
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: C27H28N[N+]O6[O-]
Molecular formula furigana: C27-H28-N2-O7
Molecular weight: 492.528
InChI: InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+/t25-/m0/s1
InChI key: KJEBULYHNRNJTE-HGJFNOKFSA-N
SMILES: COCCOC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C
Systematic name  (4):
  • (4S)-1,4-ジヒドロ-2,6-ジメチル-4-(3-ニトロフェニル)ピリジン-3,5-ジカルボン酸3-(2-メトキシエチル)5-[(E)-3-フェニル-2-プロペニル]
  • 4β-(3-ニトロフェニル)-1,4-ジヒドロ-2,6-ジメチルピリジン-3,5-ジカルボン酸3-(2-メトキシエチル)5-[(E)-3-フェニル-2-プロペニル]
  • 3-(2-メトキシエチル) 5-(2E)-3-フェニルプロパ-2-エン-1-イル (4S)-2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボキシラート
  • 3-(2-methoxyethyl) 5-(2E)-3-phenylprop-2-en-1-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Other name (2):
  • (4S)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-(2-methoxyethyl)5-[(E)-3-phenyl-2-propenyl] ester
  • 4β-(3-Nitrophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylic acid 3-(2-methoxyethyl)5-[(E)-3-phenyl-2-propenyl] ester
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