1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C21H22F3NO3 MolecularWeight: 393.39949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H22F3NO3/c1-28-18-7-5-14(6-8-18)19(25-11-9-15(10-12-25)20(26)27)16-3-2-4-17(13-16)21(22,23)24/h2-8,13,15,19H,9-12H2,1H3,(H,26,27)