1-phenoxycarbonyloxypentyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 1-phenoxycarbonyloxypentyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-phenoxycarbonyloxypentyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid 1-[oxo(phenoxy)methoxy]pentyl ester IUPAC Name: 1-phenoxycarbonyloxypentyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid 1-carbophenoxyoxypentyl ester Formula: C24H25I3N2O7 MolecularWeight: 834.17791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I)OC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCC(OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I)OC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C24H25I3N2O7/c1-5-6-12-16(36-24(33)34-15-10-8-7-9-11-15)35-23(32)17-18(25)21(28-13(2)30)20(27)22(19(17)26)29(4)14(3)31/h7-11,16H,5-6,12H2,1-4H3,(H,28,30)