2-[2-[[3-[(4-tert-butylphenyl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile

Systemtic Name: 2-[2-[[3-[(4-tert-butylphenyl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile Openeye Name: 2-[2-[[3-[(4-tert-butylphenyl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile CAS Name: 2-[2-[[3-[(4-tert-butylphenyl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile IUPAC Name: 2-[2-[[3-[(4-tert-butylphenyl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile Traditional Name: 2-[2-[[3-(4-tert-butylbenzyl)oxyphenoxy]methyl]-6-methyl-phenoxy]acetonitrile Formula: C27H29NO3 MolecularWeight: 415.52406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)OCC3=CC=C(C=C3)C(C)(C)C)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)OCC3=CC=C(C=C3)C(C)(C)C)OCC#N

InChI

InChI=1S/C27H29NO3/c1-20-7-5-8-22(26(20)29-16-15-28)19-31-25-10-6-9-24(17-25)30-18-21-11-13-23(14-12-21)27(2,3)4/h5-14,17H,16,18-19H2,1-4H3