1-[(5-bromanyl-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-[3-(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=C2)C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

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

InChI

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