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2-(2-cyano-3-ethyl-1-methyl-4-piperidinyl)-3-oxo-4-[1-(phenylmethyl)-3-indolyl]butanoic acid ethyl ester
SpectraBase Compound ID Lq6BPqPVvQ4
InChI InChI=1S/C30H35N3O3/c1-4-23-25(15-16-32(3)27(23)18-31)29(30(35)36-5-2)28(34)17-22-20-33(19-21-11-7-6-8-12-21)26-14-10-9-13-24(22)26/h6-14,20,23,25,27,29H,4-5,15-17,19H2,1-3H3
InChIKey HRLNHPYUVULBMK-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C30H35N3O3
Exact Mass 485.267842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TMxyIZOh5H
Name 2-(2-cyano-3-ethyl-1-methyl-4-piperidinyl)-3-oxo-4-[1-(phenylmethyl)-3-indolyl]butanoic acid ethyl ester
CAS Registry Number 104819-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H35N3O3
InChI InChI=1S/C30H35N3O3/c1-4-23-25(15-16-32(3)27(23)18-31)29(30(35)36-5-2)28(34)17-22-20-33(19-21-11-7-6-8-12-21)26-14-10-9-13-24(22)26/h6-14,20,23,25,27,29H,4-5,15-17,19H2,1-3H3
InChIKey HRLNHPYUVULBMK-UHFFFAOYSA-N
Molecular Weight 485.628 g/mol
SMILES c1[n](c2c(c1CC(C(C1C(C(C#N)N(CC1)C)CC)C(=O)OCC)=O)cccc2)Cc1ccccc1
SPLASH splash10-006x-9081000000-fb1509912649cfd3549a
Source of Spectrum F-41-5234-21
Synonyms 4-(1-benzylindol-3-yl)-2-(2-cyano-3-ethyl-1-methyl-4-piperidyl)-3-keto-butyric acid ethyl ester Ethyl 2-(2-cyano-3-ethyl-1-methyl-piperidin-4-yl)-3-oxidanylidene-4-[1-(phenylmethyl)indol-3-yl]butanoate Ethyl 4-(1-benzylindol-3-yl)-2-(2-cyano-3-ethyl-1-methyl-4-piperidyl)-3-oxo-butanoate Ethyl 4-(1-benzylindol-3-yl)-2-(2-cyano-3-ethyl-1-methylpiperidin-4-yl)-3-oxobutanoate
Wiley ID 1396310