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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(isopropylamino)-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-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CC(C)NC(=O)COC(=O)[C@@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H17NO5/c1-9(2)15-13(16)8-19-14(17)12-7-18-10-5-3-4-6-11(10)20-12/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)/t12-/m0/s1