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Benzeneacetic acid, .alpha.-[[[[(4,6-dimethyl-2-pyrimidinyl)methylamino]carbonyl]amino]phenylmethylene]-, methyl ester, (E)-
SpectraBase Compound ID Es9WnJeEak9
InChI InChI=1S/C24H24N4O3/c1-16-15-17(2)26-23(25-16)28(3)24(30)27-21(19-13-9-6-10-14-19)20(22(29)31-4)18-11-7-5-8-12-18/h5-15H,1-4H3,(H,27,30)/b21-20+
InChIKey BJVOTNHVIBMIDY-QZQOTICOSA-N
Mol Weight 416.48 g/mol
Molecular Formula C24H24N4O3
Exact Mass 416.184841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lb4upXlJqko
Name Benzeneacetic acid, .alpha.-[[[[(4,6-dimethyl-2-pyrimidinyl)methylamino]carbonyl]amino]phenylmethylene]-, methyl ester, (E)-
CAS Registry Number 126085-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24N4O3
InChI InChI=1S/C24H24N4O3/c1-16-15-17(2)26-23(25-16)28(3)24(30)27-21(19-13-9-6-10-14-19)20(22(29)31-4)18-11-7-5-8-12-18/h5-15H,1-4H3,(H,27,30)/b21-20+
InChIKey BJVOTNHVIBMIDY-QZQOTICOSA-N
Molecular Weight 416.481 g/mol
SMILES N(\C(=C\(C(=O)OC)c1ccccc1)c1ccccc1)C(N(c1nc(C)cc(n1)C)C)=O
SPLASH splash10-0019-0950200000-26c710d66b05265f538a
Source of Spectrum KC-1989-1732-14
Synonyms Methyl (2E)-3-({[(4,6-dimethyl-2-pyrimidinyl)(methyl)amino]carbonyl}amino)-2,3-diphenyl-2-propenoate Methyl (E)-3-[n(1)-(4,6-dimethylpyrimidin-2-yl)-N(2)-methylureido]-2,3-diphenylprop-2-enoate
Wiley ID 1376410