2-[2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]phenyl]azepane-1-carboxamide

Systemtic Name: 2-[2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]phenyl]azepane-1-carboxamide Openeye Name: 2-[2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]phenyl]azepane-1-carboxamide CAS Name: 2-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-1-azepanecarboxamide IUPAC Name: 2-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]azepane-1-carboxamide Traditional Name: 2-[2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]phenyl]azepane-1-carboxamide Formula: C29H42N2O2 MolecularWeight: 450.65598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC2=CC=CC=C2C3CCCCCN3C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC2=CC=CC=C2C3CCCCCN3C(=O)N

InChI

InChI=1S/C29H42N2O2/c1-28(2,3)23-18-20(19-24(26(23)32)29(4,5)6)15-16-21-12-9-10-13-22(21)25-14-8-7-11-17-31(25)27(30)33/h9-10,12-13,18-19,25,32H,7-8,11,14-17H2,1-6H3,(H2,30,33)