1-[5-[2-[ethyl-(4-methylphenyl)amino]hexyl]-2-phenylmethoxy-phenyl]urea hydrobromide

Systemtic Name: 1-[5-[2-[ethyl-(4-methylphenyl)amino]hexyl]-2-phenylmethoxy-phenyl]urea hydrobromide Openeye Name: [2-benzyloxy-5-[2-(N-ethyl-4-methyl-anilino)hexyl]phenyl]urea hydrobromide CAS Name: [5-[2-(N-ethyl-4-methylanilino)hexyl]-2-phenylmethoxyphenyl]urea hydrobromide IUPAC Name: [5-[2-(N-ethyl-4-methylanilino)hexyl]-2-phenylmethoxyphenyl]urea hydrobromide Traditional Name: [2-benzoxy-5-[2-(N-ethyl-4-methyl-anilino)hexyl]phenyl]urea hydrobromide Formula: C29H38BrN3O2 MolecularWeight: 540.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)NC(=O)N)N(CC)C3=CC=C(C=C3)C.Br

Isomeric SMILES

CCCCC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)NC(=O)N)N(CC)C3=CC=C(C=C3)C.Br

InChI

InChI=1S/C29H37N3O2.BrH/c1-4-6-12-26(32(5-2)25-16-13-22(3)14-17-25)19-24-15-18-28(27(20-24)31-29(30)33)34-21-23-10-8-7-9-11-23;/h7-11,13-18,20,26H,4-6,12,19,21H2,1-3H3,(H3,30,31,33);1H