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

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-aminocarbonylphenoxy)ethanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(2-carbamoylphenoxy)acetate CAS Name: 2-(2-carbamoylphenoxy)acetic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(2-carbamoylphenoxy)acetate Traditional Name: 2-(2-carbamoylphenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C20H20N2O7/c1-12(20(25)22-9-13-6-7-16-17(8-13)28-11-27-16)29-18(23)10-26-15-5-3-2-4-14(15)19(21)24/h2-8,12H,9-11H2,1H3,(H2,21,24)(H,22,25)/t12-/m0/s1