[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H15ClFNO3 MolecularWeight: 335.757303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C17H15ClFNO3/c1-11(16(21)20-10-12-5-3-2-4-6-12)23-17(22)14-8-7-13(18)9-15(14)19/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m0/s1