[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(2-chloro-5-methyl-phenoxy)acetate CAS Name: 2-(2-chloro-5-methylphenoxy)acetic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate Traditional Name: 2-(2-chloro-5-methyl-phenoxy)acetic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)O[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H20ClNO6/c1-12-3-5-15(21)17(7-12)25-10-19(23)28-13(2)20(24)22-9-14-4-6-16-18(8-14)27-11-26-16/h3-8,13H,9-11H2,1-2H3,(H,22,24)/t13-/m1/s1