4-[4-[(3,4-dimethylphenyl)methoxy]-2-ethanoyl-phenoxy]butanenitrile

Systemtic Name: 4-[4-[(3,4-dimethylphenyl)methoxy]-2-ethanoyl-phenoxy]butanenitrile Openeye Name: 4-[2-acetyl-4-[(3,4-dimethylphenyl)methoxy]phenoxy]butanenitrile CAS Name: 4-[2-acetyl-4-[(3,4-dimethylphenyl)methoxy]phenoxy]butanenitrile IUPAC Name: 4-[2-acetyl-4-[(3,4-dimethylphenyl)methoxy]phenoxy]butanenitrile Traditional Name: 4-[2-acetyl-4-(3,4-dimethylbenzyl)oxy-phenoxy]butyronitrile Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COC2=CC(=C(C=C2)OCCCC#N)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)COC2=CC(=C(C=C2)OCCCC#N)C(=O)C)C

InChI

InChI=1S/C21H23NO3/c1-15-6-7-18(12-16(15)2)14-25-19-8-9-21(20(13-19)17(3)23)24-11-5-4-10-22/h6-9,12-13H,4-5,11,14H2,1-3H3