Chem
J-GLOBAL ID:201607017940675230
Nikkaji number:J3.483.049E
(1R,2α,6α,7S)-1-(2-Methylphenyl)-4-phenyl-3,5-dioxo-4,10-diazatricyclo[5.2.1.02,6 ]decane-7-carboxylic acid tert-butyl ester
(1R,2α,6α,7S)-1-(2-メチルフェニル)-4-フェニル-3,5-ジオキソ-4,10-ジアザトリシクロ[5.2.1.02,6 ]デカン-7-カルボン酸tert-ブチル
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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:
C26 H28 N2 O4
Molecular formula furigana:
C26-H28-N2-O4
Molecular weight:
432.520
InChI:
InChI=1S/C26H28N2O4/c1-16-10-8-9-13-18(16)25-14-15-26(27-25,23(31)32-24(2,3)4)20-19(25)21(29)28(22(20)30)17-11-6-5-7-12-17/h5-13,19-20,27H,14-15H2,1-4H3/t19-,20+,25+,26+/m1/s1
InChI key:
GFLUBLCPDROKET-RWVXUKFWSA-N
SMILES:
Cc1ccccc1[C@]12CC[C@](N1)([C@H]1[C@@H]2C(=O)N(C1=O)c1ccccc1)C(=O)OC(C)(C)C
Systematic name (3):
(1R,2α,6α,7S)-1-(2-メチルフェニル)-4-フェニル-3,5-ジオキソ-4,10-ジアザトリシクロ[5.2.1.02,6 ]デカン-7-カルボン酸tert-ブチル
tert-ブチル (1S,2R,6S,7R)-7-(2-メチルフェニル)-3,5-ジオキソ-4-フェニル-4,10-ジアザトリシクロ[5.2.1.02,6 ]デカン-1-カルボキシラート
tert-butyl (1S,2R,6S,7R)-7-(2-methylphenyl)-3,5-dioxo-4-phenyl-4,10-diazatricyclo[5.2.1.02,6 ]decane-1-carboxylate
Other name (1):
(1R,2α,6α,7S)-1-(2-Methylphenyl)-4-phenyl-3,5-dioxo-4,10-diazatricyclo[5.2.1.02,6 ]decane-7-carboxylic acid tert-butyl ester
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