methyl 3-(trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]benzoate

Systemtic Name: methyl 3-(trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]benzoate Openeye Name: methyl 3-(trifluoromethyl)-4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(trifluoromethyl)-4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]benzoate Traditional Name: 3-(trifluoromethyl)-4-[4-[3-(trifluoromethyl)benzoyl]piperazino]benzoic acid methyl ester Formula: C21H18F6N2O3 MolecularWeight: 460.369639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F6N2O3/c1-32-19(31)14-5-6-17(16(12-14)21(25,26)27)28-7-9-29(10-8-28)18(30)13-3-2-4-15(11-13)20(22,23)24/h2-6,11-12H,7-10H2,1H3