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5-Hydroxy-2-(2-hydroxy-3-([2-(1H-indol-3-yl)-1,1-dimethylethyl]amino)propoxy)benzonitrile
SpectraBase Compound ID KQWBzBG2Vxx
InChI InChI=1S/C22H25N3O3/c1-22(2,10-16-12-24-20-6-4-3-5-19(16)20)25-13-18(27)14-28-21-8-7-17(26)9-15(21)11-23/h3-9,12,18,24-27H,10,13-14H2,1-2H3
InChIKey AMMJVFKSVGGOPS-UHFFFAOYSA-N
Mol Weight 379.46 g/mol
Molecular Formula C22H25N3O3
Exact Mass 379.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KesP8vVqC8
Name 5-Hydroxy-2-(2-hydroxy-3-([2-(1H-indol-3-yl)-1,1-dimethylethyl]amino)propoxy)benzonitrile
CAS Registry Number 102791-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O3
InChI InChI=1S/C22H25N3O3/c1-22(2,10-16-12-24-20-6-4-3-5-19(16)20)25-13-18(27)14-28-21-8-7-17(26)9-15(21)11-23/h3-9,12,18,24-27H,10,13-14H2,1-2H3
InChIKey AMMJVFKSVGGOPS-UHFFFAOYSA-N
Molecular Weight 379.460 g/mol
SMILES [nH]1c2ccccc2c(CC(C)(C)NCC(COc2ccc(cc2C#N)O)O)c1
SPLASH splash10-00fs-8940000000-7d12f74cc981f23942d1
Source of Spectrum JC-377-189-0
Synonyms 2-[3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]-5-oxidanyl-benzenecarbonitrile 5-Hydroxy-2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile 6-Hydroxy-3-[2-methyl-2-[2-hydroxy-3-(2-cyano-4-hydroxyphenoxy)propylamino]propyl]indol
Wiley ID 1359343