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

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(phenylmethyl)phenyl]but-1-en-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[(1E)-1-[(3-benzylphenyl)-cyano-methylene]-2,2-dimethyl-propyl]-9H-xanthene-9-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(phenylmethyl)phenyl]but-1-en-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(E)-1-(3-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[(E)-2-(3-benzylphenyl)-1-tert-butyl-2-cyano-vinyl]-9H-xanthene-9-carboxamide Formula: C34H30N2O2 MolecularWeight: 498.6142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC(=CC=C1)CC2=CC=CC=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC(=CC=C1)CC2=CC=CC=C2)/NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C34H30N2O2/c1-34(2,3)32(28(22-35)25-15-11-14-24(21-25)20-23-12-5-4-6-13-23)36-33(37)31-26-16-7-9-18-29(26)38-30-19-10-8-17-27(30)31/h4-19,21,31H,20H2,1-3H3,(H,36,37)/b32-28-