1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]proline Formula: C21H21ClF3NO4 MolecularWeight: 443.84395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C21H21ClF3NO4/c1-29-13-6-8-18(30-2)15(11-13)19(26-9-3-4-17(26)20(27)28)14-10-12(21(23,24)25)5-7-16(14)22/h5-8,10-11,17,19H,3-4,9H2,1-2H3,(H,27,28)