[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2)OCC

InChI

InChI=1S/C21H23NO7/c1-3-25-16-10-9-14(11-18(16)26-4-2)22-20(23)13-28-21(24)19-12-27-15-7-5-6-8-17(15)29-19/h5-11,19H,3-4,12-13H2,1-2H3,(H,22,23)/t19-/m1/s1