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A1CPX

Summary
Name:3-hydroxypropyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
Formula:C13 H12 F3 N O3
Formal charge:0
Formula weight:287.234 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-hydroxypropyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
OpenEye OEToolkits3.1.0.03-oxidanylpropyl 6-(trifluoromethyl)-1~{H}-indole-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)c1ccc2cc([NH]c2c1)C(=O)OCCCO
InChIInChI1.06InChI=1S/C13H12F3NO3/c14-13(15,16)9-3-2-8-6-11(17-10(8)7-9)12(19)20-5-1-4-18/h2-3,6-7,17-18H,1,4-5H2
InChIKeyInChI1.06WXVMGINMHSGYSS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCCCOC(=O)c1[nH]c2cc(ccc2c1)C(F)(F)F
SMILESCACTVS3.385OCCCOC(=O)c1[nH]c2cc(ccc2c1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(cc2c1cc([nH]2)C(=O)OCCCO)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(cc2c1cc([nH]2)C(=O)OCCCO)C(F)(F)F

253795

PDB entries from 2026-05-20

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