[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-(veratrylamino)ethyl] 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)C2COC3=CC=CC=C3O2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)[C@@H]2COC3=CC=CC=C3O2)OC

InChI

InChI=1S/C20H21NO7/c1-24-14-8-7-13(9-17(14)25-2)10-21-19(22)12-27-20(23)18-11-26-15-5-3-4-6-16(15)28-18/h3-9,18H,10-12H2,1-2H3,(H,21,22)/t18-/m0/s1