Chem
J-GLOBAL ID:200907027624754099   Nikkaji number:J2.190.424D

(S)-N-[α-[(1α,4α)-2-Phenyl-6α-(2-furyl)-2,5-diaza-3-oxabicyclo[2.2.2]octane-7-ene-5-yl]benzylidene]-1-methoxy-3-methylbutane-2-amine

(S)-N-[α-[(1α,4α)-2-フェニル-6α-(2-フリル)-2,5-ジアザ-3-オキサビシクロ[2.2.2]オクタン-7-エン-5-イル]ベンジリデン]-1-メトキシ-3-メチルブタン-2-アミン
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: C28H31N3O3
Molecular formula furigana: C28-H31-N3-O3
Molecular weight: 457.574
InChI: InChI=1S/C28H31N3O3/c1-20(2)23(19-32-3)29-28(21-11-6-4-7-12-21)30-26-17-16-24(27(30)25-15-10-18-33-25)31(34-26)22-13-8-5-9-14-22/h4-18,20,23-24,26-27H,19H2,1-3H3/t23-,24+,26-,27+/m1/s1
InChI key: MJQCBBIJLSNMMN-PTJMHOJZSA-N
SMILES: COC[C@@H](N=C(N1[C@@H]2ON([C@@H](C=C2)[C@H]1c1ccco1)c1ccccc1)c1ccccc1)C(C)C
Systematic name  (3):
  • (S)-N-[α-[(1α,4α)-2-フェニル-6α-(2-フリル)-2,5-ジアザ-3-オキサビシクロ[2.2.2]オクタン-7-エン-5-イル]ベンジリデン]-1-メトキシ-3-メチルブタン-2-アミン
  • {[(1S,4R,6S)-6-(フラン-2-イル)-2-フェニル-3-オキサ-2,5-ジアザビシクロ[2.2.2]オクタ-7-エン-5-イル](フェニル)メチリデン}[(2S)-1-メトキシ-3-メチルブタン-2-イル]アミン
  • {[(1S,4R,6S)-6-(furan-2-yl)-2-phenyl-3-oxa-2,5-diazabicyclo[2.2.2]oct-7-en-5-yl](phenyl)methylidene}[(2S)-1-methoxy-3-methylbutan-2-yl]amine
Other name (1):
  • (S)-N-[α-[(1α,4α)-2-Phenyl-6α-(2-furyl)-2,5-diaza-3-oxabicyclo[2.2.2]octane-7-ene-5-yl]benzylidene]-1-methoxy-3-methylbutane-2-amine
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