[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)COC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)COC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H18ClFN2O4/c22-14-4-3-5-15(23)19(14)21(27)28-12-18(26)25-10-8-13(9-11-25)20-24-16-6-1-2-7-17(16)29-20/h1-7,13H,8-12H2