methyl (2S)-1,4-bis[[4-(trifluoromethyl)phenyl]carbonyl]piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1,4-bis[[4-(trifluoromethyl)phenyl]carbonyl]piperazine-2-carboxylate Openeye Name: methyl (2S)-1,4-bis[4-(trifluoromethyl)benzoyl]piperazine-2-carboxylate CAS Name: (2S)-1,4-bis[oxo-[4-(trifluoromethyl)phenyl]methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1,4-bis[4-(trifluoromethyl)benzoyl]piperazine-2-carboxylate Traditional Name: (2S)-1,4-bis[4-(trifluoromethyl)benzoyl]piperazine-2-carboxylic acid methyl ester Formula: C22H18F6N2O4 MolecularWeight: 488.379739

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H18F6N2O4/c1-34-20(33)17-12-29(18(31)13-2-6-15(7-3-13)21(23,24)25)10-11-30(17)19(32)14-4-8-16(9-5-14)22(26,27)28/h2-9,17H,10-12H2,1H3/t17-/m0/s1