2-[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-iodanyl-benzoic acid

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-iodanyl-benzoic acid Openeye Name: 2-[2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethoxy]-5-iodo-benzoic acid CAS Name: 2-[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid IUPAC Name: 2-[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid Traditional Name: 2-[2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethoxy]-5-iodo-benzoic acid Formula: C18H18INO6 MolecularWeight: 471.24309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C18H18INO6/c1-10(26-14-6-4-11(19)8-13(14)18(22)23)17(21)20-12-5-7-15(24-2)16(9-12)25-3/h4-10H,1-3H3,(H,20,21)(H,22,23)