[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)propanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(2-methoxyphenyl)propanoate CAS Name: 3-(2-methoxyphenyl)propanoic 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] 3-(2-methoxyphenyl)propanoate Traditional Name: 3-(2-methoxyphenyl)propionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCC3=CC=CC=C3OC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCC3=CC=CC=C3OC

InChI

InChI=1S/C21H23NO6/c1-14(28-20(23)10-8-16-5-3-4-6-17(16)25-2)21(24)22-12-15-7-9-18-19(11-15)27-13-26-18/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,22,24)/t14-/m1/s1