[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C20H22INO6 MolecularWeight: 499.29625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C20H22INO6/c1-25-16-9-13(10-17(26-2)20(16)27-3)7-8-19(24)28-12-18(23)22-15-6-4-5-14(21)11-15/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,23)