5-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-5-phenyl-pentanenitrile

Systemtic Name: 5-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-5-phenyl-pentanenitrile Openeye Name: 5-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-5-phenyl-pentanenitrile CAS Name: 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-phenylpentanenitrile IUPAC Name: 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-phenylpentanenitrile Traditional Name: 5-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-5-phenyl-valeronitrile Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)C)C(CCCC#N)C2=CC=CC=C2)OC)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)C)C(CCCC#N)C2=CC=CC=C2)OC)C

InChI

InChI=1S/C22H27NO2/c1-15-16(2)22(25-5)20(17(3)21(15)24-4)19(13-9-10-14-23)18-11-7-6-8-12-18/h6-8,11-12,19H,9-10,13H2,1-5H3