tert-butyl 4-[3,4-bis(fluoranyl)phenyl]-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3,4-bis(fluoranyl)phenyl]-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4-(3,4-difluorophenyl)piperidine-1-carboxylate CAS Name: 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-(3,4-difluorophenyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-(3,4-difluorophenyl)piperidine-1-carboxylate Traditional Name: 4-(1-cyano-2-ethoxy-2-keto-ethyl)-4-(3,4-difluorophenyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H26F2N2O4 MolecularWeight: 408.438946

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H26F2N2O4/c1-5-28-18(26)15(13-24)21(14-6-7-16(22)17(23)12-14)8-10-25(11-9-21)19(27)29-20(2,3)4/h6-7,12,15H,5,8-11H2,1-4H3