N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]-9H-xanthene-9-carboxamide CAS Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]-9H-xanthene-9-carboxamide Formula: C29H28N2O2 MolecularWeight: 436.54482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C(C(C)(C)C)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)/C(=C(/C(C)(C)C)\NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)/C#N)C

InChI

InChI=1S/C29H28N2O2/c1-18-14-19(2)16-20(15-18)23(17-30)27(29(3,4)5)31-28(32)26-21-10-6-8-12-24(21)33-25-13-9-7-11-22(25)26/h6-16,26H,1-5H3,(H,31,32)/b27-23-