1-[[2-[3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[[2-[3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[[2-[3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[[2-[3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-[3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[[2-[3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methyl]pyrrolidine-3-carboxylic acid Formula: C21H18F3NO2S MolecularWeight: 405.43333

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C(=O)O)CC2=CC3=C(C=C2)SC(=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC1C(=O)O)CC2=CC3=C(C=C2)SC(=C3)C4=CC(=CC=C4)C(F)(F)F

InChI

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