[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic 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] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)NCC2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H23NO6/c1-14(2)27-16-9-7-15(8-10-16)21(24)26-13-20(23)22-11-17-12-25-18-5-3-4-6-19(18)28-17/h3-10,14,17H,11-13H2,1-2H3,(H,22,23)