[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [(2R)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [(1R)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN2O3/c1-14(28-21(27)19-17(22)6-5-7-18(19)23)20(26)24-15-8-10-16(11-9-15)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13H2,1H3,(H,24,26)/t14-/m1/s1