1-(3-cyanophenyl)-3-[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]urea CAS Name: 1-(3-cyanophenyl)-3-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]urea Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C#N)CO)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C#N)CO)O

InChI

InChI=1S/C26H28N4O4/c27-15-20-5-4-6-22(14-20)30-26(33)29-21-11-9-19(10-12-21)13-23(17-31)28-16-24(32)18-34-25-7-2-1-3-8-25/h1-12,14,23-24,28,31-32H,13,16-18H2,(H2,29,30,33)