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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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