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Benzoic acid, 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl]amino]-, methyl ester
SpectraBase Compound ID J0E9eRP0i7D
InChI InChI=1S/C22H25N3O5/c1-28-22(27)17-4-2-3-5-18(17)23-21(26)14-25-10-8-24(9-11-25)13-16-6-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3,(H,23,26)
InChIKey KXEUVQPFLODBBC-UHFFFAOYSA-N
Mol Weight 411.46 g/mol
Molecular Formula C22H25N3O5
Exact Mass 411.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1oRAqB5a5o
Name Benzoic acid, 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl]amino]-, methyl ester
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Formula C22H25N3O5
InChI InChI=1S/C22H25N3O5/c1-28-22(27)17-4-2-3-5-18(17)23-21(26)14-25-10-8-24(9-11-25)13-16-6-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3,(H,23,26)
InChIKey KXEUVQPFLODBBC-UHFFFAOYSA-N
Molecular Weight 411.458 g/mol
SMILES N(c1c(C(=O)OC)cccc1)C(CN1CCN(CC1)Cc1cc2c(cc1)OCO2)=O
SPLASH splash10-001r-1690200000-057519da7b34741f5f16
Source of Spectrum IY-1-4670-8
Synonyms 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester Methyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate Methyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate
Wiley ID 1654691