[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[4,5,6,7-tetrakis(iodanyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[4,5,6,7-tetrakis(iodanyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-methyl-2-(4,5,6,7-tetraiodo-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 3-methyl-2-(4,5,6,7-tetraiodo-1,3-dioxo-2-isoindolyl)butanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-methyl-2-(4,5,6,7-tetraiodo-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 3-methyl-2-(4,5,6,7-tetraiodo-1,3-diketo-isoindolin-2-yl)butyric acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C25H24I4N2O5 MolecularWeight: 940.08634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(C(C)C)N2C(=O)C3=C(C2=O)C(=C(C(=C3I)I)I)I

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(C(C)C)N2C(=O)C3=C(C2=O)C(=C(C(=C3I)I)I)I

InChI

InChI=1S/C25H24I4N2O5/c1-5-12-8-7-9-13(6-2)21(12)30-14(32)10-36-25(35)22(11(3)4)31-23(33)15-16(24(31)34)18(27)20(29)19(28)17(15)26/h7-9,11,22H,5-6,10H2,1-4H3,(H,30,32)