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CHEBI:750699 - butoxylate

Default Structure
ChEBI IDCHEBI:750699
ChEBI Namebutoxylate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC32H36N2O2
Net Charge0
Average Mass480.652
Monoisotopic Mass480.27768
SMILESCCCCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H36N2O2/c1-2-3-25-36-30(35)31(27-13-7-4-8-14-27)19-22-34(23-20-31)24-21-32(26-33,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-18H,2-3,19-25H2,1H3
InChIKeyMQWDTXAOPTYTLC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
butoxylate (CHEBI:750699) is a nitrile (CHEBI:18379)
INNs  Source
butoxilatoWHO MedNet
butoxylateWHO MedNet