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CHEBI:39905 - (5-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetic acid

ChEBI IDCHEBI:39905
ChEBI Name(5-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetic acid
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ASCII Name(5-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetic acid
Last Modified15 October 2007
DownloadsMolfile
FormulaC32H35N3O7
Net Charge0
Average Mass573.646
Monoisotopic Mass573.24750
SMILES[H]OC(=O)C([H])([H])n1c([H])c([H])c2c([H])c(OC([H])([H])[C@]3([H])N(c4c([H])c([H])c(OC([H])([H])C([H])([H])C([H])([H])OC([H])([H])c5c([H])c([H])c([H])c([H])c5OC([H])([H])[H])c([H])c4[H])C(=O)C([H])([H])N([H])C3([H])[H])c([H])c([H])c21
InChIInChI=1S/C32H35N3O7/c1-39-30-6-3-2-5-24(30)21-40-15-4-16-41-27-9-7-25(8-10-27)35-26(18-33-19-31(35)36)22-42-28-11-12-29-23(17-28)13-14-34(29)20-32(37)38/h2-3,5-14,17,26,33H,4,15-16,18-22H2,1H3,(H,37,38)/t26-/m1/s1
InChIKeyVWRBPASGKKTVFT-AREMUKBSSA-N
ChEBI Ontology
Outgoing Relation(s)
(5-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetic acid (CHEBI:39905) is a N-arylpiperazine (CHEBI:46848)
(5-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetic acid (CHEBI:39905) is a indolyl carboxylic acid (CHEBI:46867)
(5-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetic acid (CHEBI:39905) is a piperazinone (CHEBI:46846)
Synonym  Source
(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACIDPDBeChem
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