[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic 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] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C19H17F3N2O5 MolecularWeight: 410.34389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N2O5/c1-10(17(25)24-8-11-2-5-15-16(6-11)28-9-27-15)29-18(26)13-4-3-12(7-14(13)23)19(20,21)22/h2-7,10H,8-9,23H2,1H3,(H,24,25)/t10-/m1/s1