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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H22ClFN2O3/c1-3-24-17(23)12-5-4-8-21(10-12)11(2)16(22)20-13-6-7-15(19)14(18)9-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,20,22)