Ethyl 2-(2-(3,5-Bis(trifluoromethyl)benzyloxy)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetate

HCID 86654875
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Basic information

Standard SMILES
CCOC(=O)CC1CCCn2c1cc1cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12
InChIKey
XQZLSAGNLJWHRC-UHFFFAOYSA-N
Molecular formula
C25H23F6NO3
Average molar mass
499.4 g/mol
Monoisotopic mass
499.15821257

Names & identifiers

Preferred name
Ethyl 2-(2-(3,5-Bis(trifluoromethyl)benzyloxy)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetate
IUPAC
ethyl 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetate

Names & synonyms

Ethyl 2-(2-(3,5-Bis(trifluoromethyl)benzyloxy)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetateSCHEMBL2017981

Database identifiers

PubChem CID
86654875

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
40.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
35

Related reactions

6 records
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Compound notes

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