Ethyl 2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate

HCID 53345674

データを補完しています。通常は 1 分以内に完了します

基本情報

CAS
1206124-34-6
標準SMILES
CCOC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
InChIKey
MOIBBQFSBRXTDL-UHFFFAOYSA-N
分子式
C28H30F3NO3
平均分子量
485.5 g/mol

名称と識別子

優先名称
Ethyl 2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate
IUPAC
ethyl 2-[7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate

名称と別名

1206124-34-6Ethyl 2-(7-((4-cyclopentyl-3-(trifluoromethyl)benzyl)oxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetateEthyl 2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetateEthyl 2-[7-[[4-Cyclopentyl-3-(trifluoromethyl)benzyl]oxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetateEtrasimod impurity 21N-Etrasimod Impurity 22C6QP7B9EXZSCHEMBL1920079CHEMBL5575408SY375565(R/S)-Ethyl 2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate(R/S)-Ethyl 2-(7-(4-Cyclopentyl-3-(trifluromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate
名称をさらに表示
Cyclopent[b]indole-3-acetic acid, 7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydro-, ethyl esterEthyl 2-[7-[[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methyl]oxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetateethyl 2-[7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate

データベース識別子

CAS
1206124-34-6
PubChem CID
53345674
ChEMBL
CHEMBL5575408
UNII
C6QP7B9EXZ

物性

構造計算による物性補完中

XLogP
7.1
極性表面積
51.3 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
8
重原子数
35

関連反応

26 件

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