ethyl 2-(4-azanylbutylamino)-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate

Systemtic Name: ethyl 2-(4-azanylbutylamino)-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate Openeye Name: ethyl 2-(4-aminobutylamino)-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-(4-aminobutylamino)-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(4-aminobutylamino)-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 2-(4-aminobutylamino)-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propionic acid ethyl ester Formula: C21H24I4N2O4 MolecularWeight: 876.04414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)NCCCCN

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)NCCCCN

InChI

InChI=1S/C21H24I4N2O4/c1-2-30-21(29)18(27-6-4-3-5-26)9-12-7-16(24)20(17(25)8-12)31-13-10-14(22)19(28)15(23)11-13/h7-8,10-11,18,27-28H,2-6,9,26H2,1H3