CHEBI:119977 - 2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
ChEBI ID CHEBI:119977
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H25NO3
Net Charge 0
Average Mass 363.450
Monoisotopic Mass 363.18344
InChI InChI=1S/C23H25NO3/c1-15(2)12-17-8-10-18(11-9-17)16(3)23(26)27-14-22(25)20-13-24-21-7-5-4-6-19(20)21/h4-11,13,15-16,24H,12,14H2,1-3H3
InChIKey VMFHPBILVMKRFS-UHFFFAOYSA-N
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(=O)C2=CNC3=CC=CC=C32
ChEBI Ontology
Outgoing 2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester (CHEBI:119977) is a monoterpenoid (CHEBI:25409)
Manual Xref Database
LSM-31420 LINCS
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