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3EA

Summary
Name:2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
Formula:C24 H23 F3 N2 O5
Formal charge:0
Formula weight:476.445 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[5-(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propoxy)-1H-indol-1-yl]acetic acid
OpenEye OEToolkits1.5.02-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)Cn4ccc3cc(OCCCOc2ccc1c(onc1C(F)(F)F)c2CCC)ccc34
SMILES_CANONICALCACTVS3.341CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc4c1onc4C(F)(F)F
SMILESCACTVS3.341CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc4c1onc4C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O
SMILESOpenEye OEToolkits1.5.0CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O
InChIInChI1.03InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
InChIKeyInChI1.03TWVYNPULGKGJOS-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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