1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]pyrrolidine Formula: C28H30INO MolecularWeight: 523.44837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCN2CCCC2)\C3=CC=C(C=C3)I)/C4=CC=CC=C4

InChI

InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-