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

Systemtic Name: O4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(homoveratrylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7/c1-26-17-9-4-14(12-18(17)27-2)10-11-22-19(23)13-29-21(25)16-7-5-15(6-8-16)20(24)28-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,23)