1-[1-benzothiophen-3-yl-[2,4-bis(fluoranyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-[2,4-bis(fluoranyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,4-difluorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2,4-difluorophenyl)methyl]pipecolinic acid Formula: C21H19F2NO2S MolecularWeight: 387.442866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CSC4=CC=CC=C43

InChI

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