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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-difluoroanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-difluorophenyl)carbamoyl]nipecotic acid Formula: C13H14F2N2O3 MolecularWeight: 284.258666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C13H14F2N2O3/c14-10-4-3-9(6-11(10)15)16-13(20)17-5-1-2-8(7-17)12(18)19/h3-4,6,8H,1-2,5,7H2,(H,16,20)(H,18,19)