1-[(5-bromanyl-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]proline Formula: C20H19BrF3NO3 MolecularWeight: 458.26897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C(F)(F)F)N3CCCC3C(=O)O

InChI

InChI=1S/C20H19BrF3NO3/c1-28-17-9-8-12(21)11-14(17)18(25-10-4-7-16(25)19(26)27)13-5-2-3-6-15(13)20(22,23)24/h2-3,5-6,8-9,11,16,18H,4,7,10H2,1H3,(H,26,27)