1-[1-benzothiophen-2-yl-[2,4-bis(fluoranyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-[2,4-bis(fluoranyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2,4-difluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2,4-difluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2,4-difluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(2,4-difluorophenyl)methyl]isonipecotic acid Formula: C21H19F2NO2S MolecularWeight: 387.442866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H19F2NO2S/c22-15-5-6-16(17(23)12-15)20(24-9-7-13(8-10-24)21(25)26)19-11-14-3-1-2-4-18(14)27-19/h1-6,11-13,20H,7-10H2,(H,25,26)