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2,6-Dimethyl-4-[3-[[(E)-3-oxo-2-[oxo(propan-2-yloxy)methyl]but-1-enyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 23Cbv4Cup7b
InChI InChI=1S/C25H30N2O7/c1-13(2)34-23(29)19(16(5)28)12-26-18-10-8-9-17(11-18)22-20(24(30)32-6)14(3)27-15(4)21(22)25(31)33-7/h8-13,22,26-27H,1-7H3/b19-12+
InChIKey VNSFJDARHLQHKD-XDHOZWIPSA-N
Mol Weight 470.52 g/mol
Molecular Formula C25H30N2O7
Exact Mass 470.205301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPp5dPjDt0t
Name 2,6-Dimethyl-4-[3-[[(E)-3-oxo-2-[oxo(propan-2-yloxy)methyl]but-1-enyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C25H30N2O7
InChI InChI=1S/C25H30N2O7/c1-13(2)34-23(29)19(16(5)28)12-26-18-10-8-9-17(11-18)22-20(24(30)32-6)14(3)27-15(4)21(22)25(31)33-7/h8-13,22,26-27H,1-7H3/b19-12+
InChIKey VNSFJDARHLQHKD-XDHOZWIPSA-N
Molecular Weight 470.522 g/mol
SMILES N1C(=C(C(c2cc(N\C=C\(C(OC(C)C)=O)C(=O)C)ccc2)C(C(=O)OC)=C1C)C(=O)OC)C
SPLASH splash10-00di-0090100000-5c0cfec1f314dd6f462c
Source of Spectrum Y-34-1728-8
Synonyms 4-[3-[[(E)-2-isopropoxycarbonyl-3-keto-but-1-enyl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 2,6-dimethyl-4-[3-[[(E)-3-oxidanylidene-2-propan-2-yloxycarbonyl-but-1-enyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Dimethyl 2,6-dimethyl-4-[3-[[(E)-3-oxo-2-propan-2-yloxycarbonylbut-1-enyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Dimethyl 4-[3-[[(E)-2-isopropoxycarbonyl-3-oxo-but-1-enyl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Wiley ID 1392811