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

Systemtic Name: 1-[(4-propan-2-ylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[p-cumenyl-[4-(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=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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