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4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(4-fluorophenyl)amino]-4-oxidanylidene-butanoic acid
SpectraBase Compound ID 5Y9evT81F36
InChI InChI=1S/C20H23FN2O5/c1-4-28-20(27)19-12(2)16(13(3)22-19)11-23(17(24)9-10-18(25)26)15-7-5-14(21)6-8-15/h5-8,22H,4,9-11H2,1-3H3,(H,25,26)
InChIKey VINOCDPLKRTVKU-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C20H23FN2O5
Exact Mass 390.1591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsXJlMkc8vk
Name 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(4-fluorophenyl)amino]-4-oxidanylidene-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23FN2O5
InChI InChI=1S/C20H23FN2O5/c1-4-28-20(27)19-12(2)16(13(3)22-19)11-23(17(24)9-10-18(25)26)15-7-5-14(21)6-8-15/h5-8,22H,4,9-11H2,1-3H3,(H,25,26)
InChIKey VINOCDPLKRTVKU-UHFFFAOYSA-N
Molecular Weight 390.411 g/mol
SMILES [nH]1c(c(c(CN(C(CCC(=O)O)=O)c2ccc(cc2)F)c1C)C)C(=O)OCC
SPLASH splash10-0002-4900000000-5b68ba92b713b5812458
Synonyms 4-[N-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-anilino]-4-keto-butyric acid 4-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-anilino]-4-oxo-butanoic acid
Wiley ID 1453771