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

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[4-(trifluoromethyl)benzyl]isonipecotic acid Formula: C19H24F3NO4 MolecularWeight: 387.39337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24F3NO4/c1-17(2,3)27-16(26)23-10-8-18(9-11-23,15(24)25)12-13-4-6-14(7-5-13)19(20,21)22/h4-7H,8-12H2,1-3H3,(H,24,25)