6-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]-N,N-dimethyl-hexan-1-amine

Systemtic Name: 6-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]-N,N-dimethyl-hexan-1-amine Openeye Name: 6-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]-N,N-dimethyl-hexan-1-amine CAS Name: 6-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethyl-1-hexanamine IUPAC Name: 6-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylhexan-1-amine Traditional Name: 6-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]hexyl-dimethyl-amine Formula: C30H36INO MolecularWeight: 553.51741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCCCCCN(C)C)C2=CC=C(C=C2)I)C3=CC=CC=C3

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCCCCCN(C)C)\C2=CC=C(C=C2)I)/C3=CC=CC=C3

InChI

InChI=1S/C30H36INO/c1-4-29(24-12-8-7-9-13-24)30(25-14-18-27(31)19-15-25)26-16-20-28(21-17-26)33-23-11-6-5-10-22-32(2)3/h7-9,12-21H,4-6,10-11,22-23H2,1-3H3/b30-29-