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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-[ethyl(veratryl)amino]-2-keto-ethyl] ester Formula: C20H22INO5 MolecularWeight: 483.29685

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C20H22INO5/c1-4-22(12-14-5-10-17(25-2)18(11-14)26-3)19(23)13-27-20(24)15-6-8-16(21)9-7-15/h5-11H,4,12-13H2,1-3H3