1-ethoxyethyl 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoate

Systemtic Name: 1-ethoxyethyl 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoate Openeye Name: 1-ethoxyethyl 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propanoate CAS Name: 3-(N-[(3-amino-2,4,6-triiodophenyl)-oxomethyl]anilino)propanoic acid 1-ethoxyethyl ester IUPAC Name: 1-ethoxyethyl 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate Traditional Name: 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propionic acid 1-ethoxyethyl ester Formula: C20H21I3N2O4 MolecularWeight: 734.10515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC(=O)CCN(C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2I)I)N)I

Isomeric SMILES

CCOC(C)OC(=O)CCN(C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2I)I)N)I

InChI

InChI=1S/C20H21I3N2O4/c1-3-28-12(2)29-16(26)9-10-25(13-7-5-4-6-8-13)20(27)17-14(21)11-15(22)19(24)18(17)23/h4-8,11-12H,3,9-10,24H2,1-2H3