4-[4-[2-oxidanyl-3-(4-propanoylphenoxy)propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-oxidanyl-3-(4-propanoylphenoxy)propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-hydroxy-3-(4-propanoylphenoxy)propoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-hydroxy-3-(4-propanoylphenoxy)propoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-hydroxy-3-(4-propionylphenoxy)propoxy]phenyl]benzonitrile Formula: C25H23NO4 MolecularWeight: 401.45442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C25H23NO4/c1-2-25(28)21-9-13-24(14-10-21)30-17-22(27)16-29-23-11-7-20(8-12-23)19-5-3-18(15-26)4-6-19/h3-14,22,27H,2,16-17H2,1H3