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

HCID 53345674CAS 1206124-34-6

기본 정보

표준 SMILES
CCOC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
InChIKey
MOIBBQFSBRXTDL-UHFFFAOYSA-N
분자식
C28H30F3NO3
평균 분자량
485.5 g/mol

이름 및 식별자

우선 이름
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

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
7.1
극성 표면적
51.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
35

관련 반응

26건

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