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

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ChEBI Name isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
ChEBI ID CHEBI:87776
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H21NO4
Net Charge 0
Average Mass 327.375
Monoisotopic Mass 327.14706
InChI InChI=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
InChIKey TZKVLZPGKZHHNX-UHFFFAOYSA-N
SMILES C1=CC=CC(=C1)CCOC(C2=NC(C(OCC(C)C)=O)=CC=C2)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Last Modified
16 May 2016