Chem
J-GLOBAL ID:201707002500205780   Nikkaji number:J3.598.452F

2,2′-(1,4-Phenylene)bis[3-[4-[2-(2-guanidinoethoxy)ethoxy]phenyl]acrylonitrile]

2,2′-(1,4-フェニレン)ビス[3-[4-[2-(2-グアニジノエトキシ)エトキシ]フェニル]アクリロニトリル]
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: C34H38N8O4
Molecular formula furigana: C34-H38-N8-O4
Molecular weight: 622.730
InChI: InChI=1S/C34H38N8O4/c35-23-29(21-25-1-9-31(10-2-25)45-19-17-43-15-13-41-33(37)38)27-5-7-28(8-6-27)30(24-36)22-26-3-11-32(12-4-26)46-20-18-44-16-14-42-34(39)40/h1-12,21-22H,13-20H2,(H4,37,38,41)(H4,39,40,42)
InChI key: UPSGDRYDDXJWAA-UHFFFAOYSA-N
SMILES: NC(=N)NCCOCCOc1ccc(C=C(C#N)c2ccc(cc2)C(=Cc2ccc(OCCOCCNC(=N)N)cc2)C#N)cc1
Systematic name  (3):
  • 2,2′-(1,4-フェニレン)ビス[3-[4-[2-(2-グアニジノエトキシ)エトキシ]フェニル]アクリロニトリル]
  • N-{2-[2-(4-{2-[4-(2-{4-[2-(2-カルバムイミドアミドエトキシ)エトキシ]フェニル}-1-シアノエタ-1-エン-1-イル)フェニル]-2-シアノエタ-1-エン-1-イル}フェノキシ)エトキシ]エチル}グアニジン
  • N-{2-[2-(4-{2-[4-(2-{4-[2-(2-carbamimidamidoethoxy)ethoxy]phenyl}-1-cyanoeth-1-en-1-yl)phenyl]-2-cyanoeth-1-en-1-yl}phenoxy)ethoxy]ethyl}guanidine
Other name (1):
  • 2,2′-(1,4-Phenylene)bis[3-[4-[2-(2-guanidinoethoxy)ethoxy]phenyl]acrylonitrile]
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