1-[3-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]propyl]pyrrolidine

Systemtic Name: 1-[3-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]propyl]pyrrolidine Openeye Name: 1-[3-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]propyl]pyrrolidine CAS Name: 1-[3-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine IUPAC Name: 1-[3-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine Traditional Name: 1-[3-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]propyl]pyrrolidine Formula: C29H32INO MolecularWeight: 537.47495

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCCN2CCCC2)C3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCCN2CCCC2)\C3=CC=C(C=C3)I)/C4=CC=CC=C4

InChI

InChI=1S/C29H32INO/c1-2-28(23-9-4-3-5-10-23)29(24-11-15-26(30)16-12-24)25-13-17-27(18-14-25)32-22-8-21-31-19-6-7-20-31/h3-5,9-18H,2,6-8,19-22H2,1H3/b29-28-