4-[(E)-2-[6-[(4-tert-butylphenyl)methoxy]-3,4-dihydroisoquinolin-1-yl]ethenyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-[6-[(4-tert-butylphenyl)methoxy]-3,4-dihydroisoquinolin-1-yl]ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-[6-[(4-tert-butylphenyl)methoxy]-3,4-dihydroisoquinolin-1-yl]vinyl]benzonitrile CAS Name: 4-[(E)-2-[6-[(4-tert-butylphenyl)methoxy]-3,4-dihydroisoquinolin-1-yl]ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-[6-[(4-tert-butylphenyl)methoxy]-3,4-dihydroisoquinolin-1-yl]ethenyl]benzonitrile Traditional Name: 4-[(E)-2-[6-(4-tert-butylbenzyl)oxy-3,4-dihydroisoquinolin-1-yl]vinyl]benzonitrile Formula: C29H28N2O MolecularWeight: 420.54542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=NCC3)C=CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=NCC3)/C=C/C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H28N2O/c1-29(2,3)25-11-8-23(9-12-25)20-32-26-13-14-27-24(18-26)16-17-31-28(27)15-10-21-4-6-22(19-30)7-5-21/h4-15,18H,16-17,20H2,1-3H3/b15-10+