1-phenylmethoxycarbonyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 1-phenylmethoxycarbonyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-benzyloxycarbonyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid 1-phenylmethoxycarbonyloxyethyl ester IUPAC Name: 1-phenylmethoxycarbonyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid 1-carbobenzoxyoxyethyl ester Formula: C22H21I3N2O7 MolecularWeight: 806.12475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I)OC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I)OC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H21I3N2O7/c1-11(28)26-19-16(23)15(17(24)20(18(19)25)27(4)12(2)29)21(30)33-13(3)34-22(31)32-10-14-8-6-5-7-9-14/h5-9,13H,10H2,1-4H3,(H,26,28)