1-[(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC3C(=O)O

InChI

InChI=1S/C21H22F3NO2/c1-2-14-9-11-15(12-10-14)19(25-13-5-8-18(25)20(26)27)16-6-3-4-7-17(16)21(22,23)24/h3-4,6-7,9-12,18-19H,2,5,8,13H2,1H3,(H,26,27)