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

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-fluorophenyl)methyl]isonipecotic acid Formula: C21H20FNO2S MolecularWeight: 369.452403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)F)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)F)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H20FNO2S/c22-16-7-5-14(6-8-16)20(23-11-9-15(10-12-23)21(24)25)18-13-26-19-4-2-1-3-17(18)19/h1-8,13,15,20H,9-12H2,(H,24,25)