N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-3-phenoxy-benzamide

Systemtic Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-3-phenoxy-benzamide Openeye Name: N-[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]-3-phenoxy-benzamide CAS Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-3-phenoxybenzamide IUPAC Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-3-phenoxybenzamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]-3-phenoxy-benzamide Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C(C(C)(C)C)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)/C(=C(/C(C)(C)C)\NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)/C#N)C

InChI

InChI=1S/C28H28N2O2/c1-19-14-20(2)16-22(15-19)25(18-29)26(28(3,4)5)30-27(31)21-10-9-13-24(17-21)32-23-11-7-6-8-12-23/h6-17H,1-5H3,(H,30,31)/b26-25-