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

Systemtic Name: 1-[(3,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]proline Formula: C21H22F3NO2 MolecularWeight: 377.40009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCC3C(=O)O)C

InChI

InChI=1S/C21H22F3NO2/c1-13-10-14(2)12-16(11-13)19(25-9-3-4-18(25)20(26)27)15-5-7-17(8-6-15)21(22,23)24/h5-8,10-12,18-19H,3-4,9H2,1-2H3,(H,26,27)