N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-3-phenoxy-benzamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-3-phenoxy-benzamide Openeye Name: N-[(1E)-1-[(4-benzylphenyl)-cyano-methylene]-2,2-dimethyl-propyl]-3-phenoxy-benzamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-3-phenoxybenzamide IUPAC Name: N-[(E)-1-(4-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-3-phenoxybenzamide Traditional Name: N-[(E)-2-(4-benzylphenyl)-1-tert-butyl-2-cyano-vinyl]-3-phenoxy-benzamide Formula: C33H30N2O2 MolecularWeight: 486.6035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC=C(C=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC=C(C=C1)CC2=CC=CC=C2)/NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C33H30N2O2/c1-33(2,3)31(30(23-34)26-19-17-25(18-20-26)21-24-11-6-4-7-12-24)35-32(36)27-13-10-16-29(22-27)37-28-14-8-5-9-15-28/h4-20,22H,21H2,1-3H3,(H,35,36)/b31-30-