[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H17ClFNO3 MolecularWeight: 397.826683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H17ClFNO3/c1-14-10-12-16(13-11-14)25-21(26)20(15-6-3-2-4-7-15)28-22(27)19-17(23)8-5-9-18(19)24/h2-13,20H,1H3,(H,25,26)/t20-/m0/s1