3-(butanoylamino)-2,4,6-tris(iodanyl)-5-(pentylcarbamoyl)benzoic acid

Systemtic Name: 3-(butanoylamino)-2,4,6-tris(iodanyl)-5-(pentylcarbamoyl)benzoic acid Openeye Name: 3-(butanoylamino)-2,4,6-triiodo-5-(pentylcarbamoyl)benzoic acid CAS Name: 2,4,6-triiodo-3-(1-oxobutylamino)-5-[oxo-(pentylamino)methyl]benzoic acid IUPAC Name: 3-(butanoylamino)-2,4,6-triiodo-5-(pentylcarbamoyl)benzoic acid Traditional Name: 3-(amylcarbamoyl)-5-butyramido-2,4,6-triiodo-benzoic acid Formula: C17H21I3N2O4 MolecularWeight: 698.07305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCC)I)C(=O)O)I

Isomeric SMILES

CCCCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCC)I)C(=O)O)I

InChI

InChI=1S/C17H21I3N2O4/c1-3-5-6-8-21-16(24)10-12(18)11(17(25)26)14(20)15(13(10)19)22-9(23)7-4-2/h3-8H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)