Chem
J-GLOBAL ID:200907026276384804   Nikkaji number:J1.072.540B

2-[(S)-2-Hydroxy-3-[[2-[3-(4-hydroxyphenyl)ureido]ethyl]amino]propoxy]-5-[2-(cyclopropylmethoxy)ethoxy]benzonitrile

2-[(S)-2-ヒドロキシ-3-[[2-[3-(4-ヒドロキシフェニル)ウレイド]エチル]アミノ]プロポキシ]-5-[2-(シクロプロピルメトキシ)エトキシ]ベンゾニトリル
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: C25H32N4O6
Molecular formula furigana: C25-H32-N4-O6
Molecular weight: 484.553
InChI: InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)/t22-/m0/s1
InChI key: VAWYRUMIUGPAEX-QFIPXVFZSA-N
SMILES: O[C@@H](CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Systematic name  (3):
  • 2-[(S)-2-ヒドロキシ-3-[[2-[3-(4-ヒドロキシフェニル)ウレイド]エチル]アミノ]プロポキシ]-5-[2-(シクロプロピルメトキシ)エトキシ]ベンゾニトリル
  • 1-(2-{[(2S)-3-{2-シアノ-4-[2-(シクロプロピルメトキシ)エトキシ]フェノキシ}-2-ヒドロキシプロピル]アミノ}エチル)-3-(4-ヒドロキシフェニル)尿素
  • 1-(2-{[(2S)-3-{2-cyano-4-[2-(cyclopropylmethoxy)ethoxy]phenoxy}-2-hydroxypropyl]amino}ethyl)-3-(4-hydroxyphenyl)urea
Other name (1):
  • 2-[(S)-2-Hydroxy-3-[[2-[3-(4-hydroxyphenyl)ureido]ethyl]amino]propoxy]-5-[2-(cyclopropylmethoxy)ethoxy]benzonitrile
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