3-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]-N,N-dimethyl-propan-1-amine Openeye Name: 3-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]-N,N-dimethyl-propan-1-amine CAS Name: 3-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethyl-1-propanamine IUPAC Name: 3-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylpropan-1-amine Traditional Name: 3-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]propyl-dimethyl-amine Formula: C27H30INO MolecularWeight: 511.43767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30INO/c1-4-26(21-9-6-5-7-10-21)27(22-11-15-24(28)16-12-22)23-13-17-25(18-14-23)30-20-8-19-29(2)3/h5-7,9-18H,4,8,19-20H2,1-3H3/b27-26-