1-[2-[4-[(E)-1-(4-iodanylphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]piperidine

Systemtic Name: 1-[2-[4-[(E)-1-(4-iodanylphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]piperidine Openeye Name: 1-[2-[4-[(E)-1-(4-iodanylphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]piperidine CAS Name: 1-[2-[4-[(E)-1-(4-iodanylphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]piperidine IUPAC Name: 1-[2-[4-[(E)-1-(4-iodanylphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]piperidine Traditional Name: 1-[2-[4-[(E)-1-(4-iodanylphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]piperidine Formula: C29H32INO MolecularWeight: 535.475104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCN2CCCCC2)\C3=CC=C(C=C3)[125I])/C4=CC=CC=C4

InChI

InChI=1S/C29H32INO/c1-2-28(23-9-5-3-6-10-23)29(24-11-15-26(30)16-12-24)25-13-17-27(18-14-25)32-22-21-31-19-7-4-8-20-31/h3,5-6,9-18H,2,4,7-8,19-22H2,1H3/b29-28-/i30-2