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

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [(1R)-2-(cycloheptylamino)-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-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-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-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H25NO5/c1-13(18(21)20-14-8-4-2-3-5-9-14)24-19(22)17-12-23-15-10-6-7-11-16(15)25-17/h6-7,10-11,13-14,17H,2-5,8-9,12H2,1H3,(H,20,21)/t13-,17-/m1/s1