(4-propoxycarbonylphenyl)methyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (4-propoxycarbonylphenyl)methyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (4-propoxycarbonylphenyl)methyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [4-[oxo(propoxy)methyl]phenyl]methyl ester IUPAC Name: (4-propoxycarbonylphenyl)methyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (4-propoxycarbonylbenzyl) ester Formula: C22H21I3N2O6 MolecularWeight: 790.12535

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)COC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)COC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C22H21I3N2O6/c1-4-9-32-21(30)14-7-5-13(6-8-14)10-33-22(31)15-16(23)19(26-11(2)28)18(25)20(17(15)24)27-12(3)29/h5-8H,4,9-10H2,1-3H3,(H,26,28)(H,27,29)