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

Systemtic Name: [(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C22H23ClFNO3 MolecularWeight: 403.874323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C22H23ClFNO3/c1-15(28-22(27)19-8-7-18(23)14-20(19)24)21(26)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3/t15-/m0/s1