[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,5-dimethoxybenzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,5-dimethoxybenzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2,5-dimethoxybenzoate CAS Name: 2,5-dimethoxybenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2,5-dimethoxybenzoate Traditional Name: 2,5-dimethoxybenzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO7/c1-25-15-6-8-17(26-2)16(12-15)21(24)29-13-20(23)22-10-9-14-5-7-18(27-3)19(11-14)28-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,23)