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4-[(E)-3-[3-benzoyl-4-[[2-(4-methylphenyl)-1-oxoethyl]amino]anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester
SpectraBase Compound ID 1Axq4nRb1Je
InChI InChI=1S/C33H28N2O5/c1-22-8-10-24(11-9-22)20-31(37)35-29-18-17-27(21-28(29)32(38)25-6-4-3-5-7-25)34-30(36)19-14-23-12-15-26(16-13-23)33(39)40-2/h3-19,21H,20H2,1-2H3,(H,34,36)(H,35,37)/b19-14+
InChIKey XXQOQTHFFMDBDE-XMHGGMMESA-N
Mol Weight 532.6 g/mol
Molecular Formula C33H28N2O5
Exact Mass 532.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XVlHJ7g6My
Name 4-[(E)-3-[3-benzoyl-4-[[2-(4-methylphenyl)-1-oxoethyl]amino]anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester
Alternate Name(s) 4-{2-[3-Benzoyl-4-(4-tolylacetylamino)phenylaminocarbonyl]-vinyl}benzoic acid methyl ester 4-[(E)-3-[3-benzoyl-4-[[2-(p-tolyl)acetyl]amino]anilino]-3-keto-prop-1-enyl]benzoic acid methyl ester Methyl 4-[(E)-3-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-3-oxoprop-1-enyl]benzoate Methyl 4-[(E)-3-[3-benzoyl-4-[[2-(p-tolyl)acetyl]amino]anilino]-3-oxo-prop-1-enyl]benzoate (E)-methyl 4-(3-((3-benzoyl-4-(2-(p-tolyl)acetamido)phenyl)amino)-3-oxoprop-1-en-1-yl)benzoate Methyl 4-[(E)-3-[[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate
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Formula C33H28N2O5
InChI InChI=1S/C33H28N2O5/c1-22-8-10-24(11-9-22)20-31(37)35-29-18-17-27(21-28(29)32(38)25-6-4-3-5-7-25)34-30(36)19-14-23-12-15-26(16-13-23)33(39)40-2/h3-19,21H,20H2,1-2H3,(H,34,36)(H,35,37)/b19-14+
InChIKey XXQOQTHFFMDBDE-XMHGGMMESA-N
Literature Reference DOI 10.1002/ardp.200400871
Molecular Weight 532.596 g/mol
SMILES N(c1c(cc(cc1)NC(\C=C\c1ccc(cc1)C(=O)OC)=O)C(=O)c1ccccc1)C(Cc1ccc(cc1)C)=O
SPLASH splash10-01vo-9000000000-e9b110a25712e426b08b
Source of Spectrum APP-337-499-2x
Wiley ID 1770877