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Methyl 2-{ 4'-( 5''-Chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-phenylpropionate
SpectraBase Compound ID KlMoKEuEt7z
InChI InChI=1S/C23H22ClN3O5/c1-31-22(29)20(11-16-5-3-2-4-6-16)26-21(28)18-9-7-17(8-10-18)14-32-15-27-13-19(24)12-25-23(27)30/h2-10,12-13,20H,11,14-15H2,1H3,(H,26,28)
InChIKey TWEBQHOSGZBNEF-UHFFFAOYSA-N
Mol Weight 455.9 g/mol
Molecular Formula C23H22ClN3O5
Exact Mass 455.124799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42onjm6qwPU
Name Methyl 2-{ 4'-( 5''-Chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-phenylpropionate
Alternate Name(s) Methyl 2-[(4-{[(5-chloro-2-oxo-1(2H)-pyrimidinyl)methoxy]methyl}benzoyl)amino]-3-phenylpropanoate Methyl 2-{4'-(5''-chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-phenylpropionate
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Formula C23H22ClN3O5
InChI InChI=1S/C23H22ClN3O5/c1-31-22(29)20(11-16-5-3-2-4-6-16)26-21(28)18-9-7-17(8-10-18)14-32-15-27-13-19(24)12-25-23(27)30/h2-10,12-13,20H,11,14-15H2,1H3,(H,26,28)
InChIKey TWEBQHOSGZBNEF-UHFFFAOYSA-N
Molecular Weight 455.898 g/mol
SMILES N(C(c1ccc(cc1)COCN1C(N=CC(=C1)Cl)=O)=O)C(C(=O)OC)Cc1ccccc1
SPLASH splash10-014j-0900000000-bf7057ed8ced80410906
Source of Spectrum SB-46-1206-4
Wiley ID 1389020