1-[(3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C21H22F3NO3 MolecularWeight: 393.39949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

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