[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C19H19ClFNO4 MolecularWeight: 379.809863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFNO4/c1-12(26-19(24)16-8-5-14(20)11-17(16)21)18(23)22-10-9-13-3-6-15(25-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)/t12-/m0/s1