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

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]oxy-5-iodanyl-benzoic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethoxy]-5-iodo-benzoic acid CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]oxy-5-iodobenzoic acid IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]oxy-5-iodobenzoic acid Traditional Name: 5-iodo-2-[2-keto-1-methyl-2-(veratrylamino)ethoxy]benzoic acid Formula: C19H20INO6 MolecularWeight: 485.26967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20INO6/c1-11(27-15-7-5-13(20)9-14(15)19(23)24)18(22)21-10-12-4-6-16(25-2)17(8-12)26-3/h4-9,11H,10H2,1-3H3,(H,21,22)(H,23,24)