ethyl 2-[3-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(trifluoromethyl)benzyl]piperazin-2-yl]acetic acid ethyl ester Formula: C16H19F3N2O3 MolecularWeight: 344.32887

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H19F3N2O3/c1-2-24-14(22)9-13-15(23)20-7-8-21(13)10-11-5-3-4-6-12(11)16(17,18)19/h3-6,13H,2,7-10H2,1H3,(H,20,23)