2-[(3E)-6-iodanyl-5-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindol-2-yl]phenol

Systemtic Name: 2-[(3E)-6-iodanyl-5-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindol-2-yl]phenol Openeye Name: 2-[(1E)-6-benzyl-1-benzylidene-5-iodo-isoindolin-2-yl]phenol CAS Name: 2-[(3E)-6-iodo-5-(phenylmethyl)-3-(phenylmethylene)-1H-isoindol-2-yl]phenol IUPAC Name: 2-[(3E)-5-benzyl-3-benzylidene-6-iodo-1H-isoindol-2-yl]phenol Traditional Name: 2-[(1E)-1-benzal-6-benzyl-5-iodo-isoindolin-2-yl]phenol Formula: C28H22INO MolecularWeight: 515.38485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1C4=CC=CC=C4O)CC5=CC=CC=C5)I

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1C4=CC=CC=C4O)CC5=CC=CC=C5)I

InChI

InChI=1S/C28H22INO/c29-25-18-23-19-30(26-13-7-8-14-28(26)31)27(16-21-11-5-2-6-12-21)24(23)17-22(25)15-20-9-3-1-4-10-20/h1-14,16-18,31H,15,19H2/b27-16+