1-[5-[2-[2-(4-butoxyphenyl)ethylamino]pentyl]-2-phenylmethoxy-phenyl]urea hydrobromide

Systemtic Name: 1-[5-[2-[2-(4-butoxyphenyl)ethylamino]pentyl]-2-phenylmethoxy-phenyl]urea hydrobromide Openeye Name: [2-benzyloxy-5-[2-[2-(4-butoxyphenyl)ethylamino]pentyl]phenyl]urea hydrobromide CAS Name: [5-[2-[2-(4-butoxyphenyl)ethylamino]pentyl]-2-phenylmethoxyphenyl]urea hydrobromide IUPAC Name: [5-[2-[2-(4-butoxyphenyl)ethylamino]pentyl]-2-phenylmethoxyphenyl]urea hydrobromide Traditional Name: [2-benzoxy-5-[2-[2-(4-butoxyphenyl)ethylamino]pentyl]phenyl]urea hydrobromide Formula: C31H42BrN3O3 MolecularWeight: 584.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CCNC(CCC)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)NC(=O)N.Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CCNC(CCC)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)NC(=O)N.Br

InChI

InChI=1S/C31H41N3O3.BrH/c1-3-5-20-36-28-15-12-24(13-16-28)18-19-33-27(9-4-2)21-26-14-17-30(29(22-26)34-31(32)35)37-23-25-10-7-6-8-11-25;/h6-8,10-17,22,27,33H,3-5,9,18-21,23H2,1-2H3,(H3,32,34,35);1H