1-[[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[3-fluoro-5-(3-pyridylcarbamoylamino)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-fluoro-5-[[oxo-(3-pyridinylamino)methyl]amino]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-fluoro-5-(3-pyridylcarbamoylamino)benzyl]isonipecotic acid Formula: C19H21FN4O3 MolecularWeight: 372.393443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC(=CC(=C2)F)NC(=O)NC3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC(=CC(=C2)F)NC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C19H21FN4O3/c20-15-8-13(12-24-6-3-14(4-7-24)18(25)26)9-17(10-15)23-19(27)22-16-2-1-5-21-11-16/h1-2,5,8-11,14H,3-4,6-7,12H2,(H,25,26)(H2,22,23,27)