Chem
J-GLOBAL ID：201807014808172314   Nikkaji number：J3.673.363B

2,4-Bis[4-(acetylamino)phenyl]cyclobutane-1α,3β-dicarboxylic acid

2,4-ビス[4-(アセチルアミノ)フェニル]シクロブタン-1α,3β-ジカルボン酸
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： C22H22N2O6
Molecular formula furigana： C22-H22-N2-O6
Molecular weight： 410.426
InChI： InChI=1S/C22H22N2O6/c1-11(25)23-15-7-3-13(4-8-15)17-19(21(27)28)18(20(17)22(29)30)14-5-9-16(10-6-14)24-12(2)26/h3-10,17-20H,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t17?,18?,19-,20-
InChI key： XQBBKGKEOQLJFT-FOUKWCRFSA-N
SMILES： CC(=O)Nc1ccc(cc1)C1[C@@H](C([C@H]1C(=O)O)c1ccc(NC(=O)C)cc1)C(=O)O
Systematic name  (3)：
  • 2,4-ビス[4-(アセチルアミノ)フェニル]シクロブタン-1α,3β-ジカルボン酸
  • (1r,3r)-2,4-ビス(4-アセトアミドフェニル)シクロブタン-1,3-ジカルボン酸
  • (1r,3r)-2,4-bis(4-acetamidophenyl)cyclobutane-1,3-dicarboxylic acid
Other name (1)：
  • 2,4-Bis[4-(acetylamino)phenyl]cyclobutane-1α,3β-dicarboxylic acid
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