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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C19H22FN3O4 MolecularWeight: 375.394083

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H22FN3O4/c1-22(10-2-9-21)17(24)13-27-19(26)15-7-11-23(12-8-15)18(25)14-3-5-16(20)6-4-14/h3-6,15H,2,7-8,10-13H2,1H3