[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-ethanoyl-2-methoxy-phenoxy)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-ethanoyl-2-methoxy-phenoxy)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(4-acetyl-2-methoxy-phenoxy)acetate CAS Name: 2-(4-acetyl-2-methoxyphenoxy)acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate Traditional Name: 2-(4-acetyl-2-methoxy-phenoxy)acetic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H21NO8 MolecularWeight: 415.39334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO8/c1-13(23)15-4-6-16(18(8-15)26-2)27-11-21(25)28-10-20(24)22-9-14-3-5-17-19(7-14)30-12-29-17/h3-8H,9-12H2,1-2H3,(H,22,24)