Chem
J-GLOBAL ID：201107042531922363   Nikkaji number：J2.893.964G

GSM-1

1-[(R)-1-[4-(トリフルオロメチル)フェニル]4-メチルペンチル]-2α-(4-クロロフェニル)ピペリジン-4α-酢酸
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： C26H31ClF3NO2
Molecular formula furigana： C26-H31-CL-F3-N-O2
Molecular weight： 481.980
InChI： InChI=1S/C26H31ClF3NO2/c1-17(2)3-12-23(19-4-8-21(9-5-19)26(28,29)30)31-14-13-18(16-25(32)33)15-24(31)20-6-10-22(27)11-7-20/h4-11,17-18,23-24H,3,12-16H2,1-2H3,(H,32,33)/t18-,23-,24+/m1/s1
InChI key： SYWSXNWBBHHJAX-QFWMQHCXSA-N
SMILES： CC(C)CC[C@@H](N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • 1-[(R)-1-[4-(トリフルオロメチル)フェニル]4-メチルペンチル]-2α-(4-クロロフェニル)ピペリジン-4α-酢酸
  • 2-[(2S,4R)-2-(4-クロロフェニル)-1-[(1R)-4-メチル-1-[4-(トリフルオロメチル)フェニル]ペンチル]ピペリジン-4-イル]酢酸
  • 2-[(2S,4R)-2-(4-chlorophenyl)-1-[(1R)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-4-yl]acetic acid
Other name (2)：
  • 1-[(R)-1-[4-(Trifluoromethyl)phenyl]4-methylpentyl]-2α-(4-chlorophenyl)piperidine-4α-acetic acid
  • GSM-1
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