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

Systemtic Name: 4-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]benzenecarbonitrile Openeye Name: 4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]benzonitrile CAS Name: 4-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]benzonitrile IUPAC Name: 4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]benzonitrile Traditional Name: 4-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]benzonitrile Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H27NO4/c1-16(2)14-21(25)20-10-11-22(17(3)23(20)26)28-13-5-4-12-27-19-8-6-18(15-24)7-9-19/h6-11,16,26H,4-5,12-14H2,1-3H3