O4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-(veratrylamino)ethyl] ester O1-methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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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)C(=O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-25-16-9-4-13(10-17(16)26-2)11-21-18(22)12-28-20(24)15-7-5-14(6-8-15)19(23)27-3/h4-10H,11-12H2,1-3H3,(H,21,22)