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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]proline Formula: C20H19ClF3NO3 MolecularWeight: 413.81797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClF3NO3/c1-28-14-5-2-4-12(10-14)18(25-9-3-6-17(25)19(26)27)15-11-13(20(22,23)24)7-8-16(15)21/h2,4-5,7-8,10-11,17-18H,3,6,9H2,1H3,(H,26,27)