ethyl 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C22H22I3N3O5 MolecularWeight: 789.14059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C22H22I3N3O5/c1-4-33-22(32)14(10-13-8-6-5-7-9-13)28-21(31)15-16(23)19(26-11(2)29)18(25)20(17(15)24)27-12(3)30/h5-9,14H,4,10H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)