[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H18ClNO5/c1-12(18(22)21-8-7-13-5-3-2-4-6-13)26-19(23)14-9-15(20)17-16(10-14)24-11-25-17/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,22)/t12-/m1/s1