EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:40098 - methyl (6-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetate

ChEBI IDCHEBI:40098
ChEBI Namemethyl (6-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetate
Stars
ASCII Namemethyl (6-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetate
Last Modified16 May 2008
DownloadsMolfile
FormulaC33H37N3O7
Net Charge0
Average Mass587.673
Monoisotopic Mass587.26315
SMILES[H]c1c([H])c([H])c(C([H])([H])OC([H])([H])C([H])([H])C([H])([H])Oc2c([H])c([H])c(N3C(=O)C([H])([H])N([H])C([H])([H])[C@]3([H])C([H])([H])Oc3c([H])c([H])c4c([H])c([H])n(C([H])([H])C(=O)OC([H])([H])[H])c4c3[H])c([H])c2[H])c(OC([H])([H])[H])c1[H]
InChIInChI=1S/C33H37N3O7/c1-39-31-7-4-3-6-25(31)22-41-16-5-17-42-28-12-9-26(10-13-28)36-27(19-34-20-32(36)37)23-43-29-11-8-24-14-15-35(30(24)18-29)21-33(38)40-2/h3-4,6-15,18,27,34H,5,16-17,19-23H2,1-2H3/t27-/m1/s1
InChIKeyKWJWTGNGIVRJJK-HHHXNRCGSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl (6-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetate (CHEBI:40098) is a N-arylpiperazine (CHEBI:46848)
methyl (6-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetate (CHEBI:40098) is a indolyl carboxylate ester (CHEBI:46939)
methyl (6-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetate (CHEBI:40098) is a piperazinone (CHEBI:46846)
Synonyms  Source
METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATEPDBeChem
methyl (6-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetatePDBeChem
Manual XrefsDatabases
4LGPDBeChem