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4-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SpectraBase Compound ID 5PzBE289Y6h
InChI InChI=1S/C25H31N3O4/c1-5-32-24(31)28-16-14-27(15-17-28)23(30)20-8-6-7-9-21(20)26-22(29)18-10-12-19(13-11-18)25(2,3)4/h6-13H,5,14-17H2,1-4H3,(H,26,29)
InChIKey MEQHUDRSLLZLQD-UHFFFAOYSA-N
Mol Weight 437.54 g/mol
Molecular Formula C25H31N3O4
Exact Mass 437.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HG1s3H1X1H3
Name 4-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
Alternate Name(s) Ethyl 4-[2-[(4-tert-butylbenzoyl)amino]benzoyl]piperazine-1-carboxylate Ethyl 4-[2-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate Ethyl 4-{2-[(4-tert-butylbenzoyl)amino]benzoyl}-1-piperazinecarboxylate
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Formula C25H31N3O4
InChI InChI=1S/C25H31N3O4/c1-5-32-24(31)28-16-14-27(15-17-28)23(30)20-8-6-7-9-21(20)26-22(29)18-10-12-19(13-11-18)25(2,3)4/h6-13H,5,14-17H2,1-4H3,(H,26,29)
InChIKey MEQHUDRSLLZLQD-UHFFFAOYSA-N
Molecular Weight 437.540 g/mol
SMILES N(C(c1ccc(C(C)(C)C)cc1)=O)c1c(C(N2CCN(CC2)C(=O)OCC)=O)cccc1
SPLASH splash10-06si-3940000000-2b5b3df32d55d1961fb8
Wiley ID 1460449