1-[2,3,5,6-tetrakis(iodanyl)-4-morpholin-4-ylcarbonyl-phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2,3,5,6-tetrakis(iodanyl)-4-morpholin-4-ylcarbonyl-phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-[2,3,5,6-tetraiodo-4-[4-morpholinyl(oxo)methyl]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]isonipecotic acid Formula: C18H18I4N2O5 MolecularWeight: 849.9638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=C(C(=C(C(=C2I)I)C(=O)N3CCOCC3)I)I

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=C(C(=C(C(=C2I)I)C(=O)N3CCOCC3)I)I

InChI

InChI=1S/C18H18I4N2O5/c19-12-10(16(25)23-3-1-9(2-4-23)18(27)28)13(20)15(22)11(14(12)21)17(26)24-5-7-29-8-6-24/h9H,1-8H2,(H,27,28)