1-[5-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]pentyl]pyrrolidine

Systemtic Name: 1-[5-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]pentyl]pyrrolidine Openeye Name: 1-[5-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]pentyl]pyrrolidine CAS Name: 1-[5-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]pentyl]pyrrolidine IUPAC Name: 1-[5-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]pentyl]pyrrolidine Traditional Name: 1-[5-[4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]pentyl]pyrrolidine Formula: C31H36INO MolecularWeight: 565.52811

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCCCCN2CCCC2)C3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCCCCN2CCCC2)\C3=CC=C(C=C3)I)/C4=CC=CC=C4

InChI

InChI=1S/C31H36INO/c1-2-30(25-11-5-3-6-12-25)31(26-13-17-28(32)18-14-26)27-15-19-29(20-16-27)34-24-10-4-7-21-33-22-8-9-23-33/h3,5-6,11-20H,2,4,7-10,21-24H2,1H3/b31-30-