ethyl 1-[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl]isonipecotic acid ethyl ester Formula: C17H22ClFN2O3 MolecularWeight: 356.819583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H22ClFN2O3/c1-3-24-17(23)12-6-8-21(9-7-12)11(2)16(22)20-13-4-5-15(19)14(18)10-13/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,22)