[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H25NO8 MolecularWeight: 431.4358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H25NO8/c1-13(22(25)23-11-14-5-6-16-17(7-14)30-12-29-16)31-20(24)10-15-8-18(26-2)21(28-4)19(9-15)27-3/h5-9,13H,10-12H2,1-4H3,(H,23,25)