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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-25-17-8-5-14(11-18(17)26-2)9-10-21-19(23)13-27-20(24)16-6-3-15(12-22)4-7-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,23)