Chem
J-GLOBAL ID：200907070534566695
Nikkaji number：J1.082.867H
9,10-Diphenyl-11-oxo-12-azatricyclo[6.2.1.12,7]dodecane-3,5,9-triene-1,8,12-tricarboxylic acid 1,8-dimethyl 12-ethyl ester
9,10-ジフェニル-11-オキソ-12-アザトリシクロ[6.2.1.12,7]ドデカン-3,5,9-トリエン-1,8,12-トリカルボン酸1,8-ジメチル12-エチル
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
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
Molecular formula： C30H27NO7
Molecular formula furigana： C30-H27-N-O7
Molecular weight： 513.546
InChI：
InChI=1S/C30H27NO7/c1-4-38-28(35)31-21-17-11-12-18-22(31)30(27(34)37-3)24(20-15-9-6-10-16-20)23(19-13-7-5-8-14-19)29(21,25(30)32)26(33)36-2/h5-18,21-22H,4H2,1-3H3
InChI key：
RQKHVKRNWRMSPX-UHFFFAOYSA-N
SMILES：
CCOC(=O)N1C2C=CC=CC1C1(C(=O)OC)C(=O)C2(C(=O)OC)C(=C1c1ccccc1)c1ccccc1
Systematic name (3)：
- 9,10-ジフェニル-11-オキソ-12-アザトリシクロ[6.2.1.12,7]ドデカン-3,5,9-トリエン-1,8,12-トリカルボン酸1,8-ジメチル12-エチル
- 11-エチル 2,5-ジメチル 12-オキソ-3,4-ジフェニル-11-アザトリシクロ[4.4.1.12,5]ドデカ-3,7,9-トリエン-2,5,11-トリカルボキシラート
- 11-ethyl 2,5-dimethyl 12-oxo-3,4-diphenyl-11-azatricyclo[4.4.1.12,5]dodeca-3,7,9-triene-2,5,11-tricarboxylate
- 9,10-Diphenyl-11-oxo-12-azatricyclo[6.2.1.12,7]dodecane-3,5,9-triene-1,8,12-tricarboxylic acid 1,8-dimethyl 12-ethyl ester
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