Chem
J-GLOBAL ID:200907051143897790   Nikkaji number:J1.175.260H

1-[(1R,2R)-1-Phenyl-2-(benzoylamino)-3-oxo-3-methoxypropyl]-5-(4-methoxyphenyl)-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester

1-[(1R,2R)-1-フェニル-2-(ベンゾイルアミノ)-3-オキソ-3-メトキシプロピル]-5-(4-メトキシフェニル)-1H-ピラゾール-3,4-ジカルボン酸ジメチル
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: C31H29N3O8
Molecular formula furigana: C31-H29-N3-O8
Molecular weight: 571.586
InChI: InChI=1S/C31H29N3O8/c1-39-22-17-15-20(16-18-22)26-23(29(36)40-2)24(30(37)41-3)33-34(26)27(19-11-7-5-8-12-19)25(31(38)42-4)32-28(35)21-13-9-6-10-14-21/h5-18,25,27H,1-4H3,(H,32,35)/t25-,27-/m1/s1
InChI key: WOTWJGWGTNHMAP-XNMGPUDCSA-N
SMILES: COC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](c1ccccc1)n1nc(C(=O)OC)c(C(=O)OC)c1c1ccc(OC)cc1
Systematic name  (3):
  • 1-[(1R,2R)-1-フェニル-2-(ベンゾイルアミノ)-3-オキソ-3-メトキシプロピル]-5-(4-メトキシフェニル)-1H-ピラゾール-3,4-ジカルボン酸ジメチル
  • 3,4-ジメチル 1-[(1R,2R)-3-メトキシ-3-オキソ-1-フェニル-2-(フェニルホルムアミド)プロピル]-5-(4-メトキシフェニル)-1H-ピラゾール-3,4-ジカルボキシラート
  • 3,4-dimethyl 1-[(1R,2R)-3-methoxy-3-oxo-1-phenyl-2-(phenylformamido)propyl]-5-(4-methoxyphenyl)-1H-pyrazole-3,4-dicarboxylate
Other name (1):
  • 1-[(1R,2R)-1-Phenyl-2-(benzoylamino)-3-oxo-3-methoxypropyl]-5-(4-methoxyphenyl)-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester
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