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tert-butyl 3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylcarbamoyl]piperidine-1-carboxylate
tert-butyl 3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylcarbamoyl]piperidine-1-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC#CC2=CC(=CC=C2)C(F)(F)F
Isomeric SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC#CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C21H25F3N2O3/c1-20(2,3)29-19(28)26-12-6-9-16(14-26)18(27)25-11-5-8-15-7-4-10-17(13-15)21(22,23)24/h4,7,10,13,16H,6,9,11-12,14H2,1-3H3,(H,25,27)
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