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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H18FNO5/c1-12(18(22)21-9-8-13-2-5-15(20)6-3-13)26-19(23)14-4-7-16-17(10-14)25-11-24-16/h2-7,10,12H,8-9,11H2,1H3,(H,21,22)/t12-/m1/s1