1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-3-[3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-[3-(trifluoromethyl)phenyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-3-[3-(trifluoromethyl)phenyl]pipecolinic acid Formula: C18H22F3NO4 MolecularWeight: 373.36679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C(=O)O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C(=O)O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H22F3NO4/c1-17(2,3)26-16(25)22-9-5-8-13(14(22)15(23)24)11-6-4-7-12(10-11)18(19,20)21/h4,6-7,10,13-14H,5,8-9H2,1-3H3,(H,23,24)