1-[(4-propan-2-ylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-propan-2-ylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[p-cumenyl-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C23H26F3NO2 MolecularWeight: 405.45325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H26F3NO2/c1-15(2)16-6-8-17(9-7-16)21(27-12-10-18(11-13-27)22(28)29)19-4-3-5-20(14-19)23(24,25)26/h3-9,14-15,18,21H,10-13H2,1-2H3,(H,28,29)