4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]benzenecarbonitrile

Systemtic Name: 4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]benzonitrile CAS Name: 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]benzonitrile IUPAC Name: 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]benzonitrile Traditional Name: 4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]benzonitrile Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H25NO4/c1-3-6-20-21(12-11-19(16(2)24)22(20)25)27-14-5-4-13-26-18-9-7-17(15-23)8-10-18/h7-12,25H,3-6,13-14H2,1-2H3