Chem
J-GLOBAL ID：200907053543880627   Nikkaji number：J2.591.907F

(1R,4S,8S,9S)-4-(Benzyloxymethyl)-2,6-diazatricyclo[6.2.2.04,9]dodecane-2,6-dicarboxylic acid 2-tert-butyl 6-benzyl ester

(1R,4S,8S,9S)-4-(ベンジルオキシメチル)-2,6-ジアザトリシクロ[6.2.2.04,9]ドデカン-2,6-ジカルボン酸2-tert-ブチル6-ベンジル
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： C31H40N2O5
Molecular formula furigana： C31-H40-N2-O5
Molecular weight： 520.669
InChI： InChI=1S/C31H40N2O5/c1-30(2,3)38-29(35)33-21-31(22-36-18-23-10-6-4-7-11-23)20-32(17-25-14-15-26(33)16-27(25)31)28(34)37-19-24-12-8-5-9-13-24/h4-13,25-27H,14-22H2,1-3H3/t25-,26-,27+,31-/m1/s1
InChI key： OWEATOGLTJHIHZ-MFUXGYHDSA-N
SMILES： CC(C)(C)OC(=O)N1C[C@@]2(COCc3ccccc3)CN(C[C@H]3CC[C@@H]1C[C@H]23)C(=O)OCc1ccccc1
Systematic name  (3)：
  • (1R,4S,8S,9S)-4-(ベンジルオキシメチル)-2,6-ジアザトリシクロ[6.2.2.04,9]ドデカン-2,6-ジカルボン酸2-tert-ブチル6-ベンジル
  • 6-ベンジル 2-tert-ブチル (1R,4S,8S,9S)-4-[(ベンジルオキシ)メチル]-2,6-ジアザトリシクロ[6.2.2.04,9]ドデカン-2,6-ジカルボキシラート
  • 6-benzyl 2-tert-butyl (1R,4S,8S,9S)-4-[(benzyloxy)methyl]-2,6-diazatricyclo[6.2.2.04,9]dodecane-2,6-dicarboxylate
Other name (1)：
  • (1R,4S,8S,9S)-4-(Benzyloxymethyl)-2,6-diazatricyclo[6.2.2.04,9]dodecane-2,6-dicarboxylic acid 2-tert-butyl 6-benzyl ester
Thsaurus map：
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