2-[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-iodanyl-benzoic acid

Systemtic Name: 2-[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-iodanyl-benzoic acid Openeye Name: 2-[2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethoxy]-5-iodo-benzoic acid CAS Name: 2-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid IUPAC Name: 2-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid Traditional Name: 2-[2-(2,4-dimethylanilino)-2-keto-1-methyl-ethoxy]-5-iodo-benzoic acid Formula: C18H18INO4 MolecularWeight: 439.24429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18INO4/c1-10-4-6-15(11(2)8-10)20-17(21)12(3)24-16-7-5-13(19)9-14(16)18(22)23/h4-9,12H,1-3H3,(H,20,21)(H,22,23)