5-iodanyl-2-[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]oxy-benzoic acid

Systemtic Name: 5-iodanyl-2-[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]oxy-benzoic acid Openeye Name: 5-iodo-2-[1-methyl-2-oxo-2-(p-tolylmethylamino)ethoxy]benzoic acid CAS Name: 5-iodo-2-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoic acid IUPAC Name: 5-iodo-2-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoic acid Traditional Name: 5-iodo-2-[2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethoxy]benzoic acid Formula: C18H18INO4 MolecularWeight: 439.24429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)OC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C18H18INO4/c1-11-3-5-13(6-4-11)10-20-17(21)12(2)24-16-8-7-14(19)9-15(16)18(22)23/h3-9,12H,10H2,1-2H3,(H,20,21)(H,22,23)