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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-pyridyl)methyl]proline Formula: C18H16ClF3N2O2 MolecularWeight: 384.78005

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C18H16ClF3N2O2/c19-14-6-5-11(9-13(14)18(20,21)22)16(12-3-1-7-23-10-12)24-8-2-4-15(24)17(25)26/h1,3,5-7,9-10,15-16H,2,4,8H2,(H,25,26)