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

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic 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] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C18H15ClFNO5 MolecularWeight: 379.766803

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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)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClFNO5/c1-10(26-18(23)13-4-3-12(19)7-14(13)20)17(22)21-8-11-2-5-15-16(6-11)25-9-24-15/h2-7,10H,8-9H2,1H3,(H,21,22)/t10-/m0/s1