CHEBI:109243 - 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester O3,O5-diethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester O3,O5-diethyl ester
ChEBI ID CHEBI:109243
Stars This entity has been manually annotated by a third party.
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Formula C24H28N2O7
Net Charge 0
Average Mass 456.489
Monoisotopic Mass 456.18965
InChI InChI=1S/C24H28N2O7/c1-5-31-22(28)19-14(3)25-15(4)20(23(29)32-6-2)21(19)24(30)33-13-18(27)26-12-11-16-9-7-8-10-17(16)26/h7-10,19,21H,5-6,11-13H2,1-4H3
InChIKey JASALOSCNYTWES-UHFFFAOYSA-N
SMILES CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C(=O)OCC(=O)N2CCC3=CC=CC=C32
ChEBI Ontology
Outgoing 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester O3,O5-diethyl ester (CHEBI:109243) is a indoles (CHEBI:24828)
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