tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate CAS Name: 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-(4-fluorophenyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate Traditional Name: 4-(1-cyano-2-ethoxy-2-keto-ethyl)-4-(4-fluorophenyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27FN2O4 MolecularWeight: 390.448483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H27FN2O4/c1-5-27-18(25)17(14-23)21(15-6-8-16(22)9-7-15)10-12-24(13-11-21)19(26)28-20(2,3)4/h6-9,17H,5,10-13H2,1-4H3