[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)O)OC

InChI

InChI=1S/C21H21NO7/c1-26-17-6-3-13(7-19(17)27-2)10-22-20(24)12-29-21(25)8-14-11-28-18-9-15(23)4-5-16(14)18/h3-7,9,11,23H,8,10,12H2,1-2H3,(H,22,24)