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

Systemtic Name: 4-[4-(2-methyl-3-oxidanyl-4-propanoyl-phenoxy)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(3-hydroxy-2-methyl-4-propanoyl-phenoxy)butoxy]benzonitrile CAS Name: 4-[4-[3-hydroxy-2-methyl-4-(1-oxopropyl)phenoxy]butoxy]benzonitrile IUPAC Name: 4-[4-(3-hydroxy-2-methyl-4-propanoylphenoxy)butoxy]benzonitrile Traditional Name: 4-[4-(3-hydroxy-2-methyl-4-propionyl-phenoxy)butoxy]benzonitrile Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-3-19(23)18-10-11-20(15(2)21(18)24)26-13-5-4-12-25-17-8-6-16(14-22)7-9-17/h6-11,24H,3-5,12-13H2,1-2H3