1-[5-[2-[2-(4-hydroxyphenyl)ethylamino]hexyl]-2-oxidanyl-phenyl]urea hydrobromide

Systemtic Name: 1-[5-[2-[2-(4-hydroxyphenyl)ethylamino]hexyl]-2-oxidanyl-phenyl]urea hydrobromide Openeye Name: [2-hydroxy-5-[2-[2-(4-hydroxyphenyl)ethylamino]hexyl]phenyl]urea hydrobromide CAS Name: [2-hydroxy-5-[2-[2-(4-hydroxyphenyl)ethylamino]hexyl]phenyl]urea hydrobromide IUPAC Name: [2-hydroxy-5-[2-[2-(4-hydroxyphenyl)ethylamino]hexyl]phenyl]urea hydrobromide Traditional Name: [2-hydroxy-5-[2-[2-(4-hydroxyphenyl)ethylamino]hexyl]phenyl]urea hydrobromide Formula: C21H30BrN3O3 MolecularWeight: 452.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC(=C(C=C1)O)NC(=O)N)NCCC2=CC=C(C=C2)O.Br

Isomeric SMILES

CCCCC(CC1=CC(=C(C=C1)O)NC(=O)N)NCCC2=CC=C(C=C2)O.Br

InChI

InChI=1S/C21H29N3O3.BrH/c1-2-3-4-17(23-12-11-15-5-8-18(25)9-6-15)13-16-7-10-20(26)19(14-16)24-21(22)27;/h5-10,14,17,23,25-26H,2-4,11-13H2,1H3,(H3,22,24,27);1H