[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic 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-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C19H18FNO6 MolecularWeight: 375.347723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C19H18FNO6/c1-11(27-19(23)14-5-4-13(24-2)8-15(14)20)18(22)21-9-12-3-6-16-17(7-12)26-10-25-16/h3-8,11H,9-10H2,1-2H3,(H,21,22)/t11-/m0/s1