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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C18H17ClFNO3 MolecularWeight: 349.783883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFNO3/c1-2-16(17(22)21-11-12-6-4-3-5-7-12)24-18(23)14-9-8-13(20)10-15(14)19/h3-10,16H,2,11H2,1H3,(H,21,22)/t16-/m0/s1