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4-[5-chloro-3-(4-phthalimidobutanoylamino)benzofuran-2-yl]-4-keto-butyric acid methyl ester
SpectraBase Compound ID HYGGsCPdA9P
InChI InChI=1S/C25H21ClN2O7/c1-34-21(31)11-9-18(29)23-22(17-13-14(26)8-10-19(17)35-23)27-20(30)7-4-12-28-24(32)15-5-2-3-6-16(15)25(28)33/h2-3,5-6,8,10,13H,4,7,9,11-12H2,1H3,(H,27,30)
InChIKey FNGXKNIONZINKA-UHFFFAOYSA-N
Mol Weight 496.9 g/mol
Molecular Formula C25H21ClN2O7
Exact Mass 496.103729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvcuMP1PcQt
Name 4-[5-chloro-3-(4-phthalimidobutanoylamino)benzofuran-2-yl]-4-keto-butyric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21ClN2O7
InChI InChI=1S/C25H21ClN2O7/c1-34-21(31)11-9-18(29)23-22(17-13-14(26)8-10-19(17)35-23)27-20(30)7-4-12-28-24(32)15-5-2-3-6-16(15)25(28)33/h2-3,5-6,8,10,13H,4,7,9,11-12H2,1H3,(H,27,30)
InChIKey FNGXKNIONZINKA-UHFFFAOYSA-N
Molecular Weight 496.903 g/mol
SMILES N(c1c(oc2c1cc(Cl)cc2)C(=O)CCC(=O)OC)C(CCCN1C(c2ccccc2C1=O)=O)=O
SPLASH splash10-01q9-2970000000-0ba2ad64b44e52675614
Synonyms 4-[5-chloro-3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-2-benzofuranyl]-4-oxobutanoic acid methyl ester Methyl 4-(5-chloro-3-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1-benzofuran-2-yl)-4-oxobutanoate Methyl 4-[3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-chloranyl-1-benzofuran-2-yl]-4-oxidanylidene-butanoate Methyl 4-[5-chloro-3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1-benzofuran-2-yl]-4-oxobutanoate Methyl 4-[5-chloro-3-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzofuran-2-yl]-4-oxo-butanoate
Wiley ID 1445608