methyl 3-(4-oxidanylidenepiperidin-1-yl)-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 3-(4-oxidanylidenepiperidin-1-yl)-5-(trifluoromethyl)benzoate Openeye Name: methyl 3-(4-oxo-1-piperidyl)-5-(trifluoromethyl)benzoate CAS Name: 3-(4-oxo-1-piperidinyl)-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)benzoate Traditional Name: 3-(4-ketopiperidino)-5-(trifluoromethyl)benzoic acid methyl ester Formula: C14H14F3NO3 MolecularWeight: 301.26107

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)N2CCC(=O)CC2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N2CCC(=O)CC2)C(F)(F)F

InChI

InChI=1S/C14H14F3NO3/c1-21-13(20)9-6-10(14(15,16)17)8-11(7-9)18-4-2-12(19)3-5-18/h6-8H,2-5H2,1H3