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5-Isoxazoleacetic acid, 3-(4-fluorophenyl)-4,5-dihydro-5-[[[2-(methoxycarbonyl)phenyl]amino]carbonyl]-
SpectraBase Compound ID 1V81raPHkWE
InChI InChI=1S/C20H17FN2O6/c1-28-18(26)14-4-2-3-5-15(14)22-19(27)20(11-17(24)25)10-16(23-29-20)12-6-8-13(21)9-7-12/h2-9H,10-11H2,1H3,(H,22,27)(H,24,25)
InChIKey HZVJFCNVKYGWON-UHFFFAOYSA-N
Mol Weight 400.36 g/mol
Molecular Formula C20H17FN2O6
Exact Mass 400.107064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3G7Tzcplwgw
Name 5-Isoxazoleacetic acid, 3-(4-fluorophenyl)-4,5-dihydro-5-[[[2-(methoxycarbonyl)phenyl]amino]carbonyl]-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17FN2O6
InChI InChI=1S/C20H17FN2O6/c1-28-18(26)14-4-2-3-5-15(14)22-19(27)20(11-17(24)25)10-16(23-29-20)12-6-8-13(21)9-7-12/h2-9H,10-11H2,1H3,(H,22,27)(H,24,25)
InChIKey HZVJFCNVKYGWON-UHFFFAOYSA-N
Molecular Weight 400.362 g/mol
SMILES N(C(C1(CC(=O)O)ON=C(c2ccc(cc2)F)C1)=O)c1c(cccc1)C(=O)OC
SPLASH splash10-0udj-3900000000-4c180d528ea628e22ab3
Source of Spectrum IY-1-4680-2
Synonyms 2-[3-(4-fluorophenyl)-5-[(2-methoxycarbonylanilino)-oxomethyl]-4H-isoxazol-5-yl]acetic acid 2-[3-(4-fluorophenyl)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]acetic acid 2-[3-(4-fluorophenyl)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4H-isoxazol-5-yl]acetic acid 2-[3-(4-fluorophenyl)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoic acid
Wiley ID 1654785