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

Systemtic Name: 1-hexoxyethyl 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoate Openeye Name: 1-hexoxyethyl 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-hexoxyethyl ester IUPAC Name: 1-hexoxyethyl 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-hexoxyethyl ester Formula: C24H29I3N2O4 MolecularWeight: 790.21147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29I3N2O4/c1-3-4-5-9-14-32-16(2)33-20(30)12-13-29(17-10-7-6-8-11-17)24(31)21-18(25)15-19(26)23(28)22(21)27/h6-8,10-11,15-16H,3-5,9,12-14,28H2,1-2H3