(1-methylpiperidin-4-yl) 5,5,5-tris(fluoranyl)-2-oxidanyl-2-phenyl-pent-3-ynoate

Systemtic Name: (1-methylpiperidin-4-yl) 5,5,5-tris(fluoranyl)-2-oxidanyl-2-phenyl-pent-3-ynoate Openeye Name: (1-methyl-4-piperidyl) 5,5,5-trifluoro-2-hydroxy-2-phenyl-pent-3-ynoate CAS Name: 5,5,5-trifluoro-2-hydroxy-2-phenyl-3-pentynoic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate Traditional Name: 5,5,5-trifluoro-2-hydroxy-2-phenyl-pent-3-ynoic acid (1-methyl-4-piperidyl) ester Formula: C17H18F3NO3 MolecularWeight: 341.32493

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC(=O)C(C#CC(F)(F)F)(C2=CC=CC=C2)O

Isomeric SMILES

CN1CCC(CC1)OC(=O)C(C#CC(F)(F)F)(C2=CC=CC=C2)O

InChI

InChI=1S/C17H18F3NO3/c1-21-11-7-14(8-12-21)24-15(22)16(23,9-10-17(18,19)20)13-5-3-2-4-6-13/h2-6,14,23H,7-8,11-12H2,1H3