CHEBI:3846 - Compound IV

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Compound IV
ChEBI ID CHEBI:3846
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000001530460
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Formula C20H26N2O3
Net Charge 0
Average Mass 342.433
Monoisotopic Mass 342.19434
InChI InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
InChIKey FKLJPTJMIBLJAV-UHFFFAOYSA-N
SMILES Cc1cc(CCCCCCCOc2ccc(cc2)C2=NCCO2)on1
ChEBI Ontology
Outgoing Compound IV (CHEBI:3846) is a aromatic ether (CHEBI:35618)
Synonyms Sources
5-(7-(4-(4,5-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole KEGG COMPOUND
Compound IV KEGG COMPOUND
Disoxaril KEGG COMPOUND
Manual Xrefs Databases
C06496 KEGG COMPOUND
D03874 KEGG DRUG
W71 PDBeChem
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Last Modified
28 July 2014