1-[3-[3,4-bis(fluoranyl)phenyl]propanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[3,4-bis(fluoranyl)phenyl]propanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[3-(3,4-difluorophenyl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[3-(3,4-difluorophenyl)-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(3,4-difluorophenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(3,4-difluorophenyl)propanoyl]-4-phenyl-isonipecotic acid Formula: C21H21F2NO3 MolecularWeight: 373.393146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)CCC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)CCC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H21F2NO3/c22-17-8-6-15(14-18(17)23)7-9-19(25)24-12-10-21(11-13-24,20(26)27)16-4-2-1-3-5-16/h1-6,8,14H,7,9-13H2,(H,26,27)