Chem
J-GLOBAL ID：200907070834271379   Nikkaji number：J276.465B

(4S)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-methyl 5-[(3S)-1-benzylpiperidin-3-yl] ester

(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-メチル5-[(3S)-1-ベンジルピペリジン-3-イル]
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： C28H31N2[N+]O5[O-]
Molecular formula furigana： C28-H31-N3-O6
Molecular weight： 505.571
InChI： InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m0/s1
InChI key： QZVNQOLPLYWLHQ-OZXSUGGESA-N
SMILES： COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@H]1CCCN(Cc2ccccc2)C1)C
Systematic name  (7)：
  • (S)-2,6-ジメチル-4β-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-[(3S)-1-ベンジルピペリジン-3β-イル]5-メチル
  • (4S)-2,6-ジメチル-4β-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-[(3S)-1-ベンジルピペリジン-3β-イル]5-メチル
  • (4S)-1,4-ジヒドロ-2,6-ジメチル-4-(3-ニトロフェニル)-3,5-ピリジンジカルボン酸5-メチル3-[(3S)-1-(フェニルメチル)-3-ピペリジニル]
  • (4S)-2,6-ジメチル-1,4-ジヒドロ-4-(3-ニトロフェニル)ピリジン-3,5-ジカルボン酸3-メチル5-[(3S)-1-ベンジルピペリジン-3-イル]
  • (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-メチル5-[(3S)-1-ベンジルピペリジン-3-イル]
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Other name (2)：
  • (4S)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-methyl 5-[(3S)-1-benzylpiperidin-3-yl] ester
  • (4S)-2,6-Dimethyl-1,4-dihydro-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-methyl 5-[(3S)-1-benzylpiperidin-3-yl] ester
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