ethyl 2,6-bis(oxidanylidene)-1-pentyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxylate

Systemtic Name: ethyl 2,6-bis(oxidanylidene)-1-pentyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxylate Openeye Name: ethyl 2,6-dioxo-1-pentyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxylate CAS Name: 2,6-dioxo-1-pentyl-4-[4-(trifluoromethyl)phenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dioxo-1-pentyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxylate Traditional Name: 1-amyl-2,6-diketo-4-[4-(trifluoromethyl)phenyl]nipecotic acid ethyl ester Formula: C20H24F3NO4 MolecularWeight: 399.40407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)CC(C(C1=O)C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)CC(C(C1=O)C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H24F3NO4/c1-3-5-6-11-24-16(25)12-15(17(18(24)26)19(27)28-4-2)13-7-9-14(10-8-13)20(21,22)23/h7-10,15,17H,3-6,11-12H2,1-2H3