CHEBI:108178 - 2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile

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ChEBI Name 2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile
ChEBI ID CHEBI:108178
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H20BrN3O4
Net Charge 0
Average Mass 458.306
Monoisotopic Mass 457.06372
InChI InChI=1S/C21H20BrN3O4/c1-26-18-8-3-14(11-19(18)27-2)9-10-24-21-17(12-23)25-20(29-21)13-28-16-6-4-15(22)5-7-16/h3-8,11,24H,9-10,13H2,1-2H3
InChIKey AZMNDTJDENERFS-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N)OC
ChEBI Ontology
Outgoing 2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile (CHEBI:108178) is a dimethoxybenzene (CHEBI:51681)
Manual Xref Database
LSM-19555 LINCS
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