[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H25NO8 MolecularWeight: 419.4251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2OC)OC)OC)OC

InChI

InChI=1S/C21H25NO8/c1-25-15-7-6-13(8-17(15)27-3)11-22-20(23)12-30-21(24)14-9-18(28-4)19(29-5)10-16(14)26-2/h6-10H,11-12H2,1-5H3,(H,22,23)