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

Systemtic Name: butoxymethyl 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoate Openeye Name: butoxymethyl 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 butoxymethyl ester IUPAC Name: butoxymethyl 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate Traditional Name: 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propionic acid butoxymethyl ester Formula: C21H23I3N2O4 MolecularWeight: 748.13173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23I3N2O4/c1-2-3-11-29-13-30-17(27)9-10-26(14-7-5-4-6-8-14)21(28)18-15(22)12-16(23)20(25)19(18)24/h4-8,12H,2-3,9-11,13,25H2,1H3