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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]proline Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC3C(=O)O

InChI

InChI=1S/C20H21F3N2O2/c1-2-13-9-10-16(24-12-13)18(25-11-5-8-17(25)19(26)27)14-6-3-4-7-15(14)20(21,22)23/h3-4,6-7,9-10,12,17-18H,2,5,8,11H2,1H3,(H,26,27)