[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H18ClFN4O3 MolecularWeight: 392.811923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=NC=CC=N3

InChI

InChI=1S/C18H18ClFN4O3/c19-13-10-12(5-6-14(13)20)23-16(25)11-27-17(26)15-4-1-2-9-24(15)18-21-7-3-8-22-18/h3,5-8,10,15H,1-2,4,9,11H2,(H,23,25)