N,N-diethyl-2-[4-[(Z)-5-iodanyl-1,2-diphenyl-pent-1-enyl]phenoxy]ethanamine

Systemtic Name: N,N-diethyl-2-[4-[(Z)-5-iodanyl-1,2-diphenyl-pent-1-enyl]phenoxy]ethanamine Openeye Name: N,N-diethyl-2-[4-[(Z)-5-iodanyl-1,2-diphenyl-pent-1-enyl]phenoxy]ethanamine CAS Name: N,N-diethyl-2-[4-[(Z)-5-iodanyl-1,2-diphenylpent-1-enyl]phenoxy]ethanamine IUPAC Name: N,N-diethyl-2-[4-[(Z)-5-iodanyl-1,2-diphenylpent-1-enyl]phenoxy]ethanamine Traditional Name: diethyl-[2-[4-[(Z)-5-iodanyl-1,2-diphenyl-pent-1-enyl]phenoxy]ethyl]amine Formula: C29H34INO MolecularWeight: 543.492484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C(=C(CCCI)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/CCC[131I])\C2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C29H34INO/c1-3-31(4-2)22-23-32-27-19-17-26(18-20-27)29(25-14-9-6-10-15-25)28(16-11-21-30)24-12-7-5-8-13-24/h5-10,12-15,17-20H,3-4,11,16,21-23H2,1-2H3/b29-28-/i30+4