Chem
J-GLOBAL ID:200907072365929328   Nikkaji number:J1.979.157B

1-Oxo-2-(4-methoxybenzyloxy)-3α-(benzylcarbamoyl)-3aβ,6β-epoxy-1,2,3,6,7,7aα-hexahydro-3aH-isoindole-7α-carboxylic acid ethyl ester

1-オキソ-2-(4-メトキシベンジルオキシ)-3α-(ベンジルカルバモイル)-3aβ,6β-エポキシ-1,2,3,6,7,7aα-ヘキサヒドロ-3aH-イソインドール-7α-カルボン酸エチル
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: C27H28N2O7
Molecular formula furigana: C27-H28-N2-O7
Molecular weight: 492.528
InChI: InChI=1S/C27H28N2O7/c1-3-34-26(32)21-20-13-14-27(36-20)22(21)25(31)29(35-16-18-9-11-19(33-2)12-10-18)23(27)24(30)28-15-17-7-5-4-6-8-17/h4-14,20-23H,3,15-16H2,1-2H3,(H,28,30)/t20-,21+,22+,23-,27+/m1/s1
InChI key: MOIZROJVLGKAQG-PUJHRNRVSA-N
SMILES: CCOC(=O)[C@H]1[C@@H]2O[C@@]3(C=C2)[C@@H]1C(=O)N(OCc1ccc(OC)cc1)[C@@H]3C(=O)NCc1ccccc1
Systematic name  (3):
  • 1-オキソ-2-(4-メトキシベンジルオキシ)-3α-(ベンジルカルバモイル)-3aβ,6β-エポキシ-1,2,3,6,7,7aα-ヘキサヒドロ-3aH-イソインドール-7α-カルボン酸エチル
  • エチル (1S,2S,5R,6R,7R)-2-(ベンジルカルバモイル)-3-[(4-メトキシフェニル)メトキシ]-4-オキソ-10-オキサ-3-アザトリシクロ[5.2.1.01,5]デカ-8-エン-6-カルボキシラート
  • ethyl (1S,2S,5R,6R,7R)-2-(benzylcarbamoyl)-3-[(4-methoxyphenyl)methoxy]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Other name (1):
  • 1-Oxo-2-(4-methoxybenzyloxy)-3α-(benzylcarbamoyl)-3aβ,6β-epoxy-1,2,3,6,7,7aα-hexahydro-3aH-isoindole-7α-carboxylic acid ethyl ester
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