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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-4-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-pyridyl)methyl]proline Formula: C18H16ClF3N2O2 MolecularWeight: 384.78005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClF3N2O2/c19-14-4-3-12(18(20,21)22)10-13(14)16(11-5-7-23-8-6-11)24-9-1-2-15(24)17(25)26/h3-8,10,15-16H,1-2,9H2,(H,25,26)