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(E)-N-methyl-N-[2-[[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-(4-phenylphenyl)prop-2-enamide
SpectraBase Compound ID 7YdA1lKPDhz
InChI InChI=1S/C40H35N3O4/c1-28-13-15-30(16-14-28)25-37(44)42-36-23-22-34(26-35(36)40(47)33-11-7-4-8-12-33)41-38(45)27-43(2)39(46)24-19-29-17-20-32(21-18-29)31-9-5-3-6-10-31/h3-24,26H,25,27H2,1-2H3,(H,41,45)(H,42,44)/b24-19+
InChIKey NEOCGURNMVJFID-LYBHJNIJSA-N
Mol Weight 621.7 g/mol
Molecular Formula C40H35N3O4
Exact Mass 621.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzoBG15FtkD
Name (E)-N-methyl-N-[2-[[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-(4-phenylphenyl)prop-2-enamide
Alternate Name(s) (E)-N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)-1-oxoethyl]amino]anilino]-2-oxoethyl]-N-methyl-3-(4-phenylphenyl)-2-propenamide (E)-N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]-N-methyl-3-(4-phenylphenyl)prop-2-enamide (E)-N-[2-[3-benzoyl-4-[[2-(p-tolyl)acetyl]amino]anilino]-2-keto-ethyl]-N-methyl-3-(4-phenylphenyl)acrylamide (E)-N-[2-[3-benzoyl-4-[[2-(p-tolyl)acetyl]amino]anilino]-2-oxo-ethyl]-N-methyl-3-(4-phenylphenyl)prop-2-enamide
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Formula C40H35N3O4
InChI InChI=1S/C40H35N3O4/c1-28-13-15-30(16-14-28)25-37(44)42-36-23-22-34(26-35(36)40(47)33-11-7-4-8-12-33)41-38(45)27-43(2)39(46)24-19-29-17-20-32(21-18-29)31-9-5-3-6-10-31/h3-24,26H,25,27H2,1-2H3,(H,41,45)(H,42,44)/b24-19+
InChIKey NEOCGURNMVJFID-LYBHJNIJSA-N
Molecular Weight 621.737 g/mol
SMILES N(c1c(cc(NC(CN(C(\C=C\c2ccc(cc2)-c2ccccc2)=O)C)=O)cc1)C(=O)c1ccccc1)C(=O)Cc1ccc(cc1)C
SPLASH splash10-0btc-0095000000-45e6c5f292d8197e8762
Source of Spectrum D9-336-248-6
Wiley ID 1551067