1-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-fluorophenyl)methyl]proline Formula: C20H18FNO2S MolecularWeight: 355.425823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(C=C2)F)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(C=C2)F)C3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H18FNO2S/c21-14-9-7-13(8-10-14)19(22-11-3-5-17(22)20(23)24)16-12-25-18-6-2-1-4-15(16)18/h1-2,4,6-10,12,17,19H,3,5,11H2,(H,23,24)