[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H21NO6/c1-13(2)22-19(23)12-28-21(25)16-6-4-3-5-15(16)20(24)14-7-8-17-18(11-14)27-10-9-26-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,23)