[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCC2COC3=CC=CC=C3O2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCC2COC3=CC=CC=C3O2)OC

InChI

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