4-[[2-(4-iodanylphenoxy)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(4-iodanylphenoxy)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[2-(4-iodophenoxy)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[2-(4-iodophenoxy)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[2-(4-iodophenoxy)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[2-(4-iodophenoxy)propanoylamino]methyl]benzoic acid Formula: C17H16INO4 MolecularWeight: 425.21771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)OC2=CC=C(C=C2)I

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)OC2=CC=C(C=C2)I

InChI

InChI=1S/C17H16INO4/c1-11(23-15-8-6-14(18)7-9-15)16(20)19-10-12-2-4-13(5-3-12)17(21)22/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)