2-[2,4,6-tris(iodanyl)-3-(2-methylpropylcarbamoyl)phenoxy]hexanoic acid

Systemtic Name: 2-[2,4,6-tris(iodanyl)-3-(2-methylpropylcarbamoyl)phenoxy]hexanoic acid Openeye Name: 2-[2,4,6-triiodo-3-(isobutylcarbamoyl)phenoxy]hexanoic acid CAS Name: 2-[2,4,6-triiodo-3-[(2-methylpropylamino)-oxomethyl]phenoxy]hexanoic acid IUPAC Name: 2-[2,4,6-triiodo-3-(2-methylpropylcarbamoyl)phenoxy]hexanoic acid Traditional Name: 2-[2,4,6-triiodo-3-(isobutylcarbamoyl)phenoxy]hexanoic acid Formula: C17H22I3NO4 MolecularWeight: 685.07429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)C(=O)NCC(C)C)I)I

Isomeric SMILES

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)C(=O)NCC(C)C)I)I

InChI

InChI=1S/C17H22I3NO4/c1-4-5-6-12(17(23)24)25-15-11(19)7-10(18)13(14(15)20)16(22)21-8-9(2)3/h7,9,12H,4-6,8H2,1-3H3,(H,21,22)(H,23,24)