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4-Piperidineacetic acid, 5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-.alpha.-methylene-, methyl ester, [2S-(2.alpha.,4.alpha.,5E)]-
SpectraBase Compound ID KhFwCzXELfX
InChI InChI=1S/C21H26N2O3/c1-4-14-12-22-19(11-17(14)13(2)21(25)26-3)20-16(9-10-24)15-7-5-6-8-18(15)23-20/h4-8,17,19,22-24H,2,9-12H2,1,3H3/b14-4+
InChIKey VZMOFAZZXYFTMF-LNKIKWGQSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIESfMeiwyN
Name 4-Piperidineacetic acid, 5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-.alpha.-methylene-, methyl ester, [2S-(2.alpha.,4.alpha.,5E)]-
CAS Registry Number 3668-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-4-14-12-22-19(11-17(14)13(2)21(25)26-3)20-16(9-10-24)15-7-5-6-8-18(15)23-20/h4-8,17,19,22-24H,2,9-12H2,1,3H3/b14-4+
InChIKey VZMOFAZZXYFTMF-LNKIKWGQSA-N
Molecular Weight 354.450 g/mol
SMILES N1C\C(C(CC1c1c(c2ccccc2[nH]1)CCO)C(C(OC)=O)=C)=C\C
SPLASH splash10-0a4i-5933000000-c6e5707d0d32b556f4a7
Source of Spectrum SD-1981-0-0
Synonyms Methyl 2-((5Z)-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]piperidinyl)acrylate 2-[(5Z)-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-4-piperidinyl]-2-propenoic acid methyl ester 2-[(5Z)-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-4-piperidyl]acrylic acid methyl ester Methyl 2-[(5Z)-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-4-piperidyl]prop-2-enoate Methyl 2-[(5Z)-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]piperidin-4-yl]prop-2-enoate Secoaspidodasycarpine
Wiley ID 1344729