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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-dimethoxyphenyl)methyl]proline Formula: C21H21ClF3NO4 MolecularWeight: 443.84395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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