1-[(5-ethylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C21H23F3N2O2 MolecularWeight: 392.41473

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H23F3N2O2/c1-2-14-10-11-17(25-13-14)19(26-12-6-5-9-18(26)20(27)28)15-7-3-4-8-16(15)21(22,23)24/h3-4,7-8,10-11,13,18-19H,2,5-6,9,12H2,1H3,(H,27,28)