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

Systemtic Name: 1-[1-benzothiophen-2-yl-[2,4-bis(fluoranyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2,4-difluorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4S3

InChI

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