5-iodanyl-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoic acid

Systemtic Name: 5-iodanyl-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoic acid Openeye Name: 5-iodo-2-[1-methyl-2-oxo-2-(propylamino)ethoxy]benzoic acid CAS Name: 5-iodo-2-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid IUPAC Name: 5-iodo-2-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid Traditional Name: 5-iodo-2-[2-keto-1-methyl-2-(propylamino)ethoxy]benzoic acid Formula: C13H16INO4 MolecularWeight: 377.17491

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)I)C(=O)O

Isomeric SMILES

CCCNC(=O)C(C)OC1=C(C=C(C=C1)I)C(=O)O

InChI

InChI=1S/C13H16INO4/c1-3-6-15-12(16)8(2)19-11-5-4-9(14)7-10(11)13(17)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,17,18)