1-[(5-ethylpyridin-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-[4-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C21H23F3N2O2 MolecularWeight: 392.41473

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

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