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1-(1-piperidinyl)-3-[4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenoxy]-2-propanol

PropertiesImage
MNX_IDMNXM179545 Image of MNXM179545
referencechebi:107444
formulaC24H31F3N2O2
global charge0
mol weight436.518
InChIKeyRHHUEMKHXMZVIG-UHFFFAOYSA-N
InChIInChI=1S/C24H31F3N2O2/c25-24(26,27)21-8-4-19(5-9-21)12-13-28-16-20-6-10-23(11-7-20)31-18-22(30)17-29-14-2-1-3-15-29/h4-11,22,28,30H,1-3,12-18H2
SMILESOC(COC1=CC=C(CNCCC2=CC=C(C(F)(F)F)C=C2)C=C1)CN1CCCCC1
MNX internals
InChI (mnx)InChI=1/C24H31F3N2O2/c25-24(26,27)21-8-4-19(5-9-21)12-13-28-16-20-6-10-23(11-7-20)31-18-22(30)17-29-14-2-1-3-15-29/h4-11,22,28,30H,1-3,12-18H2/t22? Image of MNXM179545
SMILES (mnx)[CH2:1]1[CH2:2][CH2:14][N:29]([CH2:17][CH:22]([CH2:18][O:31][C:23]2=[CH:11][CH:7]=[C:20]([CH2:16][NH:28][CH2:13][CH2:12][C:19]3=[CH:5][CH:9]=[C:21]([C:24]([F:25])([F:26])[F:27])[CH:8]=[CH:4]3)[CH:6]=[CH:10]2)[OH:30])[CH2:15][CH2:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:107444
chebi:107444
RHHUEMKHXMZVIG-UHFFFAOYSA-N
1-(1-piperidinyl)-3-[4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenoxy]-2-propanol