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2-[1-[2-(1-besylindol-3-yl)ethyl]-5-ethyl-3,4-dihydro-2H-pyridin-4-yl]malonic acid dimethyl ester
SpectraBase Compound ID BS9bLwbOLYS
InChI InChI=1S/C28H32N2O6S/c1-4-20-18-29(17-15-24(20)26(27(31)35-2)28(32)36-3)16-14-21-19-30(25-13-9-8-12-23(21)25)37(33,34)22-10-6-5-7-11-22/h5-13,18-19,24,26H,4,14-17H2,1-3H3
InChIKey TVHVPZNENLPGFP-UHFFFAOYSA-N
Mol Weight 524.6 g/mol
Molecular Formula C28H32N2O6S
Exact Mass 524.198108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HY0XOd1V1B1
Name 2-[1-[2-(1-besylindol-3-yl)ethyl]-5-ethyl-3,4-dihydro-2H-pyridin-4-yl]malonic acid dimethyl ester
CAS Registry Number 82980-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32N2O6S
InChI InChI=1S/C28H32N2O6S/c1-4-20-18-29(17-15-24(20)26(27(31)35-2)28(32)36-3)16-14-21-19-30(25-13-9-8-12-23(21)25)37(33,34)22-10-6-5-7-11-22/h5-13,18-19,24,26H,4,14-17H2,1-3H3
InChIKey TVHVPZNENLPGFP-UHFFFAOYSA-N
Molecular Weight 524.632 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)c2c(c1CCN1C=C(CC)C(C(C(=O)OC)C(=O)OC)CC1)cccc2
SPLASH splash10-00dl-0910000000-b72e9b9335b47f1ff7e0
Source of Spectrum J-47-4449-0
Synonyms 2-[1-[2-[1-(benzenesulfonyl)-3-indolyl]ethyl]-5-ethyl-3,4-dihydro-2H-pyridin-4-yl]propanedioic acid dimethyl ester Dimethyl 2-[1-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-5-ethyl-3,4-dihydro-2H-pyridin-4-yl]propanedioate Dimethyl 2-[5-ethyl-1-[2-[1-(phenylsulfonyl)indol-3-yl]ethyl]-3,4-dihydro-2H-pyridin-4-yl]propanedioate
Wiley ID 1402518