Chem
J-GLOBAL ID:200907025209176400   Nikkaji number:J714.681G

2-Amino-4-[(R)-1-methylheptyloxy]-5-nitrobenzoic acid 4-(5-heptylpyrimidin-2-yl)phenyl ester

2-アミノ-4-[(R)-1-メチルヘプチルオキシ]-5-ニトロ安息香酸4-(5-ヘプチルピリミジン-2-イル)フェニル
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: C32H42N3[N+]O4[O-]
Molecular formula furigana: C32-H42-N4-O5
Molecular weight: 562.711
InChI: InChI=1S/C32H42N4O5/c1-4-6-8-10-12-14-24-21-34-31(35-22-24)25-15-17-26(18-16-25)41-32(37)27-19-29(36(38)39)30(20-28(27)33)40-23(3)13-11-9-7-5-2/h15-23H,4-14,33H2,1-3H3/t23-/m1/s1
InChI key: WSCKNIWAFKWGEO-HSZRJFAPSA-N
SMILES: CCCCCCCc1cnc(nc1)c1ccc(OC(=O)c2cc(c(O[C@H](C)CCCCCC)cc2N)[N+](=O)[O-])cc1
Systematic name  (3):
  • 2-アミノ-4-[(R)-1-メチルヘプチルオキシ]-5-ニトロ安息香酸4-(5-ヘプチルピリミジン-2-イル)フェニル
  • 4-(5-ヘプチルピリミジン-2-イル)フェニル 2-アミノ-5-ニトロ-4-[(2R)-オクタン-2-イルオキシ]ベンゾアート
  • 4-(5-heptylpyrimidin-2-yl)phenyl 2-amino-5-nitro-4-[(2R)-octan-2-yloxy]benzoate
Other name (1):
  • 2-Amino-4-[(R)-1-methylheptyloxy]-5-nitrobenzoic acid 4-(5-heptylpyrimidin-2-yl)phenyl ester
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