1-[1-benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]proline Formula: C21H18F3NO2S MolecularWeight: 405.43333

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C21H18F3NO2S/c22-21(23,24)15-8-3-2-7-14(15)19(25-11-5-9-16(25)20(26)27)18-12-13-6-1-4-10-17(13)28-18/h1-4,6-8,10,12,16,19H,5,9,11H2,(H,26,27)