Chem
J-GLOBAL ID：200907068763969189   Nikkaji number：J366.837A

CV-159

CV-159
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： C31H34N3[N+]O6[O-]
Molecular formula furigana： C31-H34-N4-O7
Molecular weight： 574.634
InChI： InChI=1S/C31H34N4O7/c1-20-27(30(36)40-3)29(23-14-11-15-24(18-23)35(38)39)28(21(2)32-20)31(37)42-17-10-5-4-9-16-41-26-19-25(33-34-26)22-12-7-6-8-13-22/h6-8,11-15,18-19,29,32H,4-5,9-10,16-17H2,1-3H3,(H,33,34)
InChI key： OOKHXFXYNBTHHR-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCCCCOc1cc([nH]n1)c1ccccc1)C
Systematic name  (3)：
  • 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3-メチル5-[6-[(5-フェニル-1H-ピラゾール-3-イル)オキシ]ヘキシル]
  • 3-メチル 5-{6-[(5-フェニル-1H-ピラゾール-3-イル)オキシ]ヘキシル} 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-methyl 5-{6-[(5-phenyl-1H-pyrazol-3-yl)oxy]hexyl} 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Other name (2)：
  • CV-159
  • 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-methyl 5-[6-[(5-phenyl-1H-pyrazol-3-yl)oxy]hexyl] ester
CAS registry number： 86384-98-7
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