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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C18H18INO5 MolecularWeight: 455.24369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18INO5/c1-23-15-8-3-12(9-16(15)24-2)10-20-17(21)11-25-18(22)13-4-6-14(19)7-5-13/h3-9H,10-11H2,1-2H3,(H,20,21)