7-iodanyl-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate

Systemtic Name: 7-iodanyl-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: 2-benzyl-7-iodo-4-phenyl-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: 7-iodo-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-iodo-4-phenyl-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: 2-benzyl-7-iodo-4-phenyl-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate Formula: C22H21INO2- MolecularWeight: 458.31211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4)I

Isomeric SMILES

C1CC(=C2CN(CC2(C1C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4)I

InChI

InChI=1S/C22H22INO2/c23-20-12-11-18(17-9-5-2-6-10-17)22(21(25)26)15-24(14-19(20)22)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,25,26)/p-1