3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]propanenitrile Openeye Name: 3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]propanenitrile CAS Name: 3-[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-methylamino]propanenitrile IUPAC Name: 3-[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-methylamino]propanenitrile Traditional Name: 3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]propionitrile Formula: C18H28N2O2 MolecularWeight: 304.42712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN(C)CCC#N)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN(C)CCC#N)O

InChI

InChI=1S/C18H28N2O2/c1-14-11-15(18(2,3)4)7-8-17(14)22-13-16(21)12-20(5)10-6-9-19/h7-8,11,16,21H,6,10,12-13H2,1-5H3