ethyl N-[4-[2-(tert-butylamino)-2-oxidanyl-ethyl]-2-cyano-6-fluoranyl-phenyl]carbamate

Systemtic Name: ethyl N-[4-[2-(tert-butylamino)-2-oxidanyl-ethyl]-2-cyano-6-fluoranyl-phenyl]carbamate Openeye Name: ethyl N-[4-[2-(tert-butylamino)-2-hydroxy-ethyl]-2-cyano-6-fluoro-phenyl]carbamate CAS Name: N-[4-[2-(tert-butylamino)-2-hydroxyethyl]-2-cyano-6-fluorophenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[2-(tert-butylamino)-2-hydroxyethyl]-2-cyano-6-fluorophenyl]carbamate Traditional Name: N-[4-[2-(tert-butylamino)-2-hydroxy-ethyl]-2-cyano-6-fluoro-phenyl]carbamic acid ethyl ester Formula: C16H22FN3O3 MolecularWeight: 323.362583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C=C(C=C1C#N)CC(NC(C)(C)C)O)F

Isomeric SMILES

CCOC(=O)NC1=C(C=C(C=C1C#N)CC(NC(C)(C)C)O)F

InChI

InChI=1S/C16H22FN3O3/c1-5-23-15(22)19-14-11(9-18)6-10(7-12(14)17)8-13(21)20-16(2,3)4/h6-7,13,20-21H,5,8H2,1-4H3,(H,19,22)