2-[3-[6-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]hexylamino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[6-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]hexylamino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-[6-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]hexylamino]-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[3-[6-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 2-[3-[6-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 2-[3-[6-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]hexylamino]-2-hydroxy-propoxy]benzonitrile Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4/c27-15-21-9-3-5-11-25(21)33-19-23(31)17-29-13-7-1-2-8-14-30-18-24(32)20-34-26-12-6-4-10-22(26)16-28/h3-6,9-12,23-24,29-32H,1-2,7-8,13-14,17-20H2