5-[3-(4-ethanoylphenyl)-4,5-dimethyl-furan-2-yl]hexanenitrile

Systemtic Name: 5-[3-(4-ethanoylphenyl)-4,5-dimethyl-furan-2-yl]hexanenitrile Openeye Name: 5-[3-(4-acetylphenyl)-4,5-dimethyl-2-furyl]hexanenitrile CAS Name: 5-[3-(4-acetylphenyl)-4,5-dimethyl-2-furanyl]hexanenitrile IUPAC Name: 5-[3-(4-acetylphenyl)-4,5-dimethylfuran-2-yl]hexanenitrile Traditional Name: 5-[3-(4-acetylphenyl)-4,5-dimethyl-2-furyl]hexanenitrile Formula: C20H23NO2 MolecularWeight: 309.40212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C2=CC=C(C=C2)C(=O)C)C(C)CCCC#N)C

Isomeric SMILES

CC1=C(OC(=C1C2=CC=C(C=C2)C(=O)C)C(C)CCCC#N)C

InChI

InChI=1S/C20H23NO2/c1-13(7-5-6-12-21)20-19(14(2)16(4)23-20)18-10-8-17(9-11-18)15(3)22/h8-11,13H,5-7H2,1-4H3