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1H-Indole-3-acetic acid, 2-[5-ethyl-4-(2-methoxy-2-oxoethyl)-1-methyl-2-piperidinyl]-.alpha.-oxo-, methyl ester, (2.alpha.,4.beta.,5.alpha.)-(.+-.)-
SpectraBase Compound ID KUukamNQJqT
InChI InChI=1S/C22H28N2O5/c1-5-13-12-24(2)17(10-14(13)11-18(25)28-3)20-19(21(26)22(27)29-4)15-8-6-7-9-16(15)23-20/h6-9,13-14,17,23H,5,10-12H2,1-4H3/t13-,14+,17+/m0/s1
InChIKey ZNXDOZNDJWCDBD-JJRVBVJISA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzcsRgC7aON
Name 1H-Indole-3-acetic acid, 2-[5-ethyl-4-(2-methoxy-2-oxoethyl)-1-methyl-2-piperidinyl]-.alpha.-oxo-, methyl ester, (2.alpha.,4.beta.,5.alpha.)-(.+-.)-
CAS Registry Number 132242-06-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-5-13-12-24(2)17(10-14(13)11-18(25)28-3)20-19(21(26)22(27)29-4)15-8-6-7-9-16(15)23-20/h6-9,13-14,17,23H,5,10-12H2,1-4H3/t13-,14+,17+/m0/s1
InChIKey ZNXDOZNDJWCDBD-JJRVBVJISA-N
Molecular Weight 400.475 g/mol
SMILES [nH]1c2ccccc2c(c1[C@@]1(N(C[C@@]([C@](C1)(CC(=O)OC)[H])(CC)[H])C)[H])C(C(=O)OC)=O
SPLASH splash10-014j-0963100000-e610cd02726e523bdcb7
Source of Spectrum F-46-4401-13
Synonyms Methyl 5-ethyl-2-(3-methoxyoxalyl-2-indolyl)-1-methylpiperidine-4-acetate Methyl {2-[(2R,4R,5R)-5-ethyl-4-(2-methoxy-2-oxoethyl)-1-methylpiperidinyl]-1H-indol-3-yl}(oxo)acetate
Wiley ID 1369424