Benzenebutanoic acid, 4-(1-butyl-1H-indol-2-yl)-结构式

Benzenebutanoic acid, 4-(1-butyl-1H-indol-2-yl)-
英文名称:Benzenebutanoic acid, 4-(1-butyl-1H-indol-2-yl)-
CAS No.:88561-08-4
分子式:C22H25NO2 分子量:335.4394
Benzenebutanoic acid, 4-(1-butyl-1H-indol-2-yl)- 数据
Mol:
   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176    9.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    9.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    9.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    7.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 13  5  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END                                
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Benzenebutanoic acid, 4-(1-butyl-1H-indol-2-yl)- Smile 编码:
C(N1C2C(=CC=CC=2)C=C1C1C=CC(CCCC(O)=O)=CC=1)CCC
Benzenebutanoic acid, 4-(1-butyl-1H-indol-2-yl)- InChi 编码:
InChI=1S/C22H25NO2/c1-2-3-15-23-20-9-5-4-8-19(20)16-21(23)18-13-11-17(12-14-18)7-6-10-22(24)25/h4-5,8-9,11-14,16H,2-3,6-7,10,15H2,1H3,(H,24,25)
Benzenebutanoic acid, 4-(1-butyl-1H-indol-2-yl)- InChiKey 编码:
OUSJEUUXYAPERG-UHFFFAOYSA-N