1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]proline Formula: C26H24F3NO3 MolecularWeight: 455.46887

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H24F3NO3/c27-26(28,29)21-11-4-9-19(15-21)24(30-14-6-13-23(30)25(31)32)20-10-5-12-22(16-20)33-17-18-7-2-1-3-8-18/h1-5,7-12,15-16,23-24H,6,13-14,17H2,(H,31,32)