[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H20N2O5 MolecularWeight: 332.3511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-11(2)17(3,10-18)19-15(20)9-23-16(21)14-8-22-12-6-4-5-7-13(12)24-14/h4-7,11,14H,8-9H2,1-3H3,(H,19,20)/t14-,17+/m1/s1