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CHEBI:41315 - (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE

Default Structure
ChEBI IDCHEBI:41315
ChEBI Name(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE
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Last Modified16 May 2008
DownloadsMolfile
FormulaC25H30NO5
Net Charge-1
Average Mass424.517
Monoisotopic Mass424.21295
SMILES[H]c1c([H])c([C@]([H])(Oc2c(C([H])([H])C([H])([H])C([H])([H])[H])c([H])c3c(=O)n(C([H])([H])[H])oc3c2C([H])([H])C([H])([H])C([H])([H])[H])C(=O)[O-])c([H])c([H])c1C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/p-1/t22-/m0/s1
InChIKeyRYNHNIDEKCRWHJ-QFIPXVFZSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE (CHEBI:41315) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-[4-(1-methylethyl)phenyl][(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]ethanoatePDBeChem
(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATEPDBeChem
Manual XrefsDatabases
C01PDBeChem