2-[3-[5-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]pentylamino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[5-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]pentylamino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-[5-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]pentylamino]-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[3-[5-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]pentylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 2-[3-[5-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]pentylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 2-[3-[5-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]pentylamino]-2-hydroxy-propoxy]benzonitrile Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCC(CNCCCCCNCC(COC2=CC=CC=C2C#N)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC(CNCCCCCNCC(COC2=CC=CC=C2C#N)O)O

InChI

InChI=1S/C25H32N4O4/c26-14-20-8-2-4-10-24(20)32-18-22(30)16-28-12-6-1-7-13-29-17-23(31)19-33-25-11-5-3-9-21(25)15-27/h2-5,8-11,22-23,28-31H,1,6-7,12-13,16-19H2