1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methyl-4-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methyl-4-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methyl-4-pyridyl)methyl]proline Formula: C19H18ClF3N2O2 MolecularWeight: 398.80663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C19H18ClF3N2O2/c1-11-10-24-7-6-13(11)17(25-8-2-3-16(25)18(26)27)14-9-12(19(21,22)23)4-5-15(14)20/h4-7,9-10,16-17H,2-3,8H2,1H3,(H,26,27)