EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138134 - methyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate

ChEBI IDCHEBI:138134
ChEBI Namemethyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate
Stars
ASCII Namemethyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate
DefinitionA methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoate in which the chiral centre has S configuration.
Last Modified9 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H20N2O3
Net Charge0
Average Mass288.347
Monoisotopic Mass288.14739
SMILESCOC(=O)c1ccc(C)cc1C1=N[C@@](C)(C(C)C)C(=O)N1
InChIInChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)/t16-/m0/s1
InChIKeyFFCCBBNQPIMUJI-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate (CHEBI:138134) has functional parent 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid (CHEBI:138128)
methyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate (CHEBI:138134) is a methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoate (CHEBI:138132)
methyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate (CHEBI:138134) is enantiomer of methyl 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate (CHEBI:138133)
Incoming Relation(s)
rac-methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate (CHEBI:6849) has part methyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate (CHEBI:138134)
methyl 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate (CHEBI:138133) is enantiomer of methyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate (CHEBI:138134)
IUPAC Name 
methyl 2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-4-methylbenzoate