methyl 4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate CAS Name: 4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Traditional Name: 4-[4-(2-furoyl)piperazino]-3-(trifluoromethyl)benzoic acid methyl ester Formula: C18H17F3N2O4 MolecularWeight: 382.33379

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O4/c1-26-17(25)12-4-5-14(13(11-12)18(19,20)21)22-6-8-23(9-7-22)16(24)15-3-2-10-27-15/h2-5,10-11H,6-9H2,1H3