tert-butyl 4-[[2-(cyanomethyl)-6-phenethyl-phenoxy]methyl]benzoate

Systemtic Name: tert-butyl 4-[[2-(cyanomethyl)-6-phenethyl-phenoxy]methyl]benzoate Openeye Name: tert-butyl 4-[[2-(cyanomethyl)-6-phenethyl-phenoxy]methyl]benzoate CAS Name: 4-[[2-(cyanomethyl)-6-phenethylphenoxy]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(cyanomethyl)-6-phenethylphenoxy]methyl]benzoate Traditional Name: 4-[[2-(cyanomethyl)-6-phenethyl-phenoxy]methyl]benzoic acid tert-butyl ester Formula: C28H29NO3 MolecularWeight: 427.53476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2CCC3=CC=CC=C3)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2CCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C28H29NO3/c1-28(2,3)32-27(30)25-16-13-22(14-17-25)20-31-26-23(10-7-11-24(26)18-19-29)15-12-21-8-5-4-6-9-21/h4-11,13-14,16-17H,12,15,18,20H2,1-3H3