1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[m-phenetyl-[4-(trifluoromethyl)phenyl]methyl]proline Formula: C21H22F3NO3 MolecularWeight: 393.39949

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCC3C(=O)O

InChI

InChI=1S/C21H22F3NO3/c1-2-28-17-6-3-5-15(13-17)19(25-12-4-7-18(25)20(26)27)14-8-10-16(11-9-14)21(22,23)24/h3,5-6,8-11,13,18-19H,2,4,7,12H2,1H3,(H,26,27)