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CHEBI:87776 - isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate

ChEBI IDCHEBI:87776
ChEBI Nameisobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
Stars
DefinitionA member of the class of pyridines that is pyridine substituted by a (2-methylpropoxy)carbonyl and a (2-phenylethoxy)carbonyl group at positions 2 and 6 respectively.
Last Modified16 May 2016
Submitternamrata
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILESCC(C)COC(=O)c1cccc(C(=O)OCCc2ccccc2)n1
InChIInChI=1S/C19H21NO4/c1-14(2)13-24-19(22)17-10-6-9-16(20-17)18(21)23-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyTZKVLZPGKZHHNX-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate (CHEBI:87776) has role metabolite (CHEBI:25212)
isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate (CHEBI:87776) is a dicarboxylic acids and O-substituted derivatives (CHEBI:131927)
isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate (CHEBI:87776) is a diester (CHEBI:51307)
isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate (CHEBI:87776) is a pyridines (CHEBI:26421)
IUPAC Name 
2-methylpropyl 2-phenylethyl pyridine-2,6-dicarboxylate