1-[(2-cyano-3-fluoranyl-phenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-cyano-3-fluoranyl-phenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-cyano-3-fluoro-phenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-cyano-3-fluoroanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-cyano-3-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-cyano-3-fluoro-phenyl)carbamoyl]nipecotic acid Formula: C14H14FN3O3 MolecularWeight: 291.277663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14FN3O3/c15-11-4-1-5-12(10(11)7-16)17-14(21)18-6-2-3-9(8-18)13(19)20/h1,4-5,9H,2-3,6,8H2,(H,17,21)(H,19,20)