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4-(Ethoxycarbonyl)-1-(N-phenylureido)-3-[3-(4-methoxycarbonylphenyl)propargyl]-2,5-dimethylpyrrole
SpectraBase Compound ID 1pZFOnWPmvx
InChI InChI=1S/C27H27N3O5/c1-5-35-26(32)24-19(3)29(30(27(28)33)22-11-7-6-8-12-22)18(2)23(24)13-9-10-20-14-16-21(17-15-20)25(31)34-4/h6-8,11-12,14-17H,5,13H2,1-4H3,(H2,28,33)
InChIKey QOQAHOJWXBGRFL-UHFFFAOYSA-N
Mol Weight 473.53 g/mol
Molecular Formula C27H27N3O5
Exact Mass 473.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHlZBKTwZvo
Name 4-(Ethoxycarbonyl)-1-(N-phenylureido)-3-[3-(4-methoxycarbonylphenyl)propargyl]-2,5-dimethylpyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27N3O5
InChI InChI=1S/C27H27N3O5/c1-5-35-26(32)24-19(3)29(30(27(28)33)22-11-7-6-8-12-22)18(2)23(24)13-9-10-20-14-16-21(17-15-20)25(31)34-4/h6-8,11-12,14-17H,5,13H2,1-4H3,(H2,28,33)
InChIKey QOQAHOJWXBGRFL-UHFFFAOYSA-N
Molecular Weight 473.529 g/mol
SMILES NC(N([n]1c(c(C(=O)OCC)c(c1C)CC#Cc1ccc(C(=O)OC)cc1)C)c1ccccc1)=O
SPLASH splash10-0jbc-0604900000-063b99a2fb591e72c2ba
Source of Spectrum F-52-4008-12
Synonyms Ethyl 1-[(aminocarbonyl)anilino]-4-{3-[4-(methoxycarbonyl)phenyl]-2-propynyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Wiley ID 795883