4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-tert-butoxycarbonyl-piperidine-4-carboxylic acid CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 4-[3,5-bis(trifluoromethyl)benzyl]-1-tert-butoxycarbonyl-isonipecotic acid Formula: C20H23F6NO4 MolecularWeight: 455.391339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H23F6NO4/c1-17(2,3)31-16(30)27-6-4-18(5-7-27,15(28)29)11-12-8-13(19(21,22)23)10-14(9-12)20(24,25)26/h8-10H,4-7,11H2,1-3H3,(H,28,29)