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

Systemtic Name: 1-[1-benzothiophen-2-yl-[2,4-bis(fluoranyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2,4-difluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

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