1-[3-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamoylamino]pyridin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamoylamino]pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[(2-chloro-4-fluoro-benzoyl)carbamoylamino]-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[[[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-oxomethyl]amino]-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(2-chloro-4-fluorobenzoyl)carbamoylamino]pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[(2-chloro-4-fluoro-benzoyl)carbamoylamino]-2-pyridyl]isonipecotic acid Formula: C19H18ClFN4O4 MolecularWeight: 420.822023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C=CC=N2)NC(=O)NC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C=CC=N2)NC(=O)NC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H18ClFN4O4/c20-14-10-12(21)3-4-13(14)17(26)24-19(29)23-15-2-1-7-22-16(15)25-8-5-11(6-9-25)18(27)28/h1-4,7,10-11H,5-6,8-9H2,(H,27,28)(H2,23,24,26,29)