[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C19H20INO5 MolecularWeight: 469.27027

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)I)OC

InChI

InChI=1S/C19H20INO5/c1-24-16-7-6-13(10-17(16)25-2)8-9-21-18(22)12-26-19(23)14-4-3-5-15(20)11-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,22)