methyl 1-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl]isonipecotic acid methyl ester Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)N(CCC#N)C2=CC=CC=C2F

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)N(CCC#N)C2=CC=CC=C2F

InChI

InChI=1S/C18H22FN3O3/c1-25-18(24)14-7-11-21(12-8-14)13-17(23)22(10-4-9-20)16-6-3-2-5-15(16)19/h2-3,5-6,14H,4,7-8,10-13H2,1H3