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

Systemtic Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H22F3NO3/c1-28-17-10-8-14(9-11-17)19(25-12-3-2-7-18(25)20(26)27)15-5-4-6-16(13-15)21(22,23)24/h4-6,8-11,13,18-19H,2-3,7,12H2,1H3,(H,26,27)