Chem
J-GLOBAL ID:200907050043525635   Nikkaji number:J1.029.841E

3-(1-Pyrrolidinyl)-4-phenylbenzoic acid 2,6-bis(tert-butyl)-4-methoxyphenyl ester

3-(1-ピロリジニル)-4-フェニル安息香酸2,6-ビス(tert-ブチル)-4-メトキシフェニル
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: C32H39NO3
Molecular formula furigana: C32-H39-N-O3
Molecular weight: 485.668
InChI: InChI=1S/C32H39NO3/c1-31(2,3)26-20-24(35-7)21-27(32(4,5)6)29(26)36-30(34)23-15-16-25(22-13-9-8-10-14-22)28(19-23)33-17-11-12-18-33/h8-10,13-16,19-21H,11-12,17-18H2,1-7H3
InChI key: IFMGGSGHRAQXQV-UHFFFAOYSA-N
SMILES: COc1cc(c(OC(=O)c2ccc(c3ccccc3)c(c2)N2CCCC2)c(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3):
  • 3-(1-ピロリジニル)-4-フェニル安息香酸2,6-ビス(tert-ブチル)-4-メトキシフェニル
  • 2,6-ジ-tert-ブチル-4-メトキシフェニル 2-(ピロリジン-1-イル)-[1,1'-ビフェニル]-4-カルボキシラート
  • 2,6-di-tert-butyl-4-methoxyphenyl 2-(pyrrolidin-1-yl)-[1,1'-biphenyl]-4-carboxylate
Other name (1):
  • 3-(1-Pyrrolidinyl)-4-phenylbenzoic acid 2,6-bis(tert-butyl)-4-methoxyphenyl ester
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