Chem
J-GLOBAL ID:200907018057568972   Nikkaji number:J400.757C

1-Phenyl-2-[(dimethylamino)methyl]-5-[5-nitro-6-piperidinopyrimidin-4-yloxy]-1H-indole-3-carboxylic acid ethyl ester

1-フェニル-2-[(ジメチルアミノ)メチル]-5-[5-ニトロ-6-ピペリジノピリミジン-4-イルオキシ]-1H-インドール-3-カルボン酸エチル
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: C29H32N5[N+]O4[O-]
Molecular formula furigana: C29-H32-N6-O5
Molecular weight: 544.612
InChI: InChI=1S/C29H32N6O5/c1-4-39-29(36)25-22-17-21(13-14-23(22)34(24(25)18-32(2)3)20-11-7-5-8-12-20)40-28-26(35(37)38)27(30-19-31-28)33-15-9-6-10-16-33/h5,7-8,11-14,17,19H,4,6,9-10,15-16,18H2,1-3H3
InChI key: NUQLPTRGQOPKFI-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c2ccc(Oc3ncnc(N4CCCCC4)c3[N+](=O)[O-])cc12
Systematic name  (3):
  • 1-フェニル-2-[(ジメチルアミノ)メチル]-5-[5-ニトロ-6-ピペリジノピリミジン-4-イルオキシ]-1H-インドール-3-カルボン酸エチル
  • エチル 2-[(ジメチルアミノ)メチル]-5-{[5-ニトロ-6-(ピペリジン-1-イル)ピリミジン-4-イル]オキシ}-1-フェニル-1H-インドール-3-カルボキシラート
  • ethyl 2-[(dimethylamino)methyl]-5-{[5-nitro-6-(piperidin-1-yl)pyrimidin-4-yl]oxy}-1-phenyl-1H-indole-3-carboxylate
Other name (1):
  • 1-Phenyl-2-[(dimethylamino)methyl]-5-[5-nitro-6-piperidinopyrimidin-4-yloxy]-1H-indole-3-carboxylic acid ethyl ester
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