4-[4-(4-butanoyl-2-methyl-3-oxidanyl-phenoxy)butoxy]benzenecarbonitrile

Systemtic Name: 4-[4-(4-butanoyl-2-methyl-3-oxidanyl-phenoxy)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(4-butanoyl-3-hydroxy-2-methyl-phenoxy)butoxy]benzonitrile CAS Name: 4-[4-[3-hydroxy-2-methyl-4-(1-oxobutyl)phenoxy]butoxy]benzonitrile IUPAC Name: 4-[4-(4-butanoyl-3-hydroxy-2-methylphenoxy)butoxy]benzonitrile Traditional Name: 4-[4-(4-butyryl-3-hydroxy-2-methyl-phenoxy)butoxy]benzonitrile Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C=C1)OCCCCOC2=CC=C(C=C2)C#N)C)O

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C=C1)OCCCCOC2=CC=C(C=C2)C#N)C)O

InChI

InChI=1S/C22H25NO4/c1-3-6-20(24)19-11-12-21(16(2)22(19)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