[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H23NO5/c1-12(17(20)19-13-7-3-2-4-8-13)23-18(21)16-11-22-14-9-5-6-10-15(14)24-16/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3,(H,19,20)/t12-,16-/m1/s1