SpectraBase Spectrum ID |
B1oRAqB5a5o |
Name |
Benzoic acid, 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl]amino]-, methyl ester |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |