methyl 2-[[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[2-(trifluoromethyl)benzoyl]piperazino]methyl]furan-3-carboxylic acid methyl ester Formula: C19H19F3N2O4 MolecularWeight: 396.36037

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(OC=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H19F3N2O4/c1-27-18(26)14-6-11-28-16(14)12-23-7-9-24(10-8-23)17(25)13-4-2-3-5-15(13)19(20,21)22/h2-6,11H,7-10,12H2,1H3