N,N-diethyl-2-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethanamine

Systemtic Name: N,N-diethyl-2-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethanamine Openeye Name: N,N-diethyl-2-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethanamine CAS Name: N,N-diethyl-2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine IUPAC Name: N,N-diethyl-2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine Traditional Name: diethyl-[2-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]amine Formula: C28H32INO MolecularWeight: 525.46425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32INO/c1-4-27(22-10-8-7-9-11-22)28(23-12-16-25(29)17-13-23)24-14-18-26(19-15-24)31-21-20-30(5-2)6-3/h7-19H,4-6,20-21H2,1-3H3/b28-27-