2-[3-[ethanoyl-(phenylmethyl)amino]-2,4,6-tris(iodanyl)phenoxy]hexanoic acid

Systemtic Name: 2-[3-[ethanoyl-(phenylmethyl)amino]-2,4,6-tris(iodanyl)phenoxy]hexanoic acid Openeye Name: 2-[3-[acetyl(benzyl)amino]-2,4,6-triiodo-phenoxy]hexanoic acid CAS Name: 2-[3-[acetyl-(phenylmethyl)amino]-2,4,6-triiodophenoxy]hexanoic acid IUPAC Name: 2-[3-[acetyl(benzyl)amino]-2,4,6-triiodophenoxy]hexanoic acid Traditional Name: 2-[3-[acetyl(benzyl)amino]-2,4,6-triiodo-phenoxy]hexanoic acid Formula: C21H22I3NO4 MolecularWeight: 733.11709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)N(CC2=CC=CC=C2)C(=O)C)I)I

Isomeric SMILES

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)N(CC2=CC=CC=C2)C(=O)C)I)I

InChI

InChI=1S/C21H22I3NO4/c1-3-4-10-17(21(27)28)29-20-16(23)11-15(22)19(18(20)24)25(13(2)26)12-14-8-6-5-7-9-14/h5-9,11,17H,3-4,10,12H2,1-2H3,(H,27,28)