[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H18FNO5 MolecularWeight: 359.348323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H18FNO5/c1-11(13-3-6-15(20)7-4-13)21-18(22)12(2)26-19(23)14-5-8-16-17(9-14)25-10-24-16/h3-9,11-12H,10H2,1-2H3,(H,21,22)