ethyl 1-[5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-keto-1-[3-(trifluoromethyl)benzyl]pyrrolidine-3-carbonyl]nipecotic acid ethyl ester Formula: C21H25F3N2O4 MolecularWeight: 426.42941

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N2O4/c1-2-30-20(29)15-6-4-8-25(12-15)19(28)16-10-18(27)26(13-16)11-14-5-3-7-17(9-14)21(22,23)24/h3,5,7,9,15-16H,2,4,6,8,10-13H2,1H3