[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H20FNO6 MolecularWeight: 401.385003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO6/c1-13(21(26)23-11-14-2-8-18-19(10-14)28-12-27-18)29-20(25)9-7-17(24)15-3-5-16(22)6-4-15/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,23,26)/t13-/m1/s1