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

Systemtic Name: 4-[4-[4-(3-methylbutanoyl)-3-oxidanyl-2-propyl-phenoxy]butoxy]benzenecarbonitrile Openeye Name: 4-[4-[3-hydroxy-4-(3-methylbutanoyl)-2-propyl-phenoxy]butoxy]benzonitrile CAS Name: 4-[4-[3-hydroxy-4-(3-methyl-1-oxobutyl)-2-propylphenoxy]butoxy]benzonitrile IUPAC Name: 4-[4-[3-hydroxy-4-(3-methylbutanoyl)-2-propylphenoxy]butoxy]benzonitrile Traditional Name: 4-[4-(3-hydroxy-4-isovaleryl-2-propyl-phenoxy)butoxy]benzonitrile Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-4-7-22-24(13-12-21(25(22)28)23(27)16-18(2)3)30-15-6-5-14-29-20-10-8-19(17-26)9-11-20/h8-13,18,28H,4-7,14-16H2,1-3H3