ethyl N-[4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-cyano-phenyl]carbamate hydrochloride

Systemtic Name: ethyl N-[4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-cyano-phenyl]carbamate hydrochloride Openeye Name: ethyl N-[4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-cyano-phenyl]carbamate hydrochloride CAS Name: N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-cyanophenyl]carbamic acid ethyl ester hydrochloride IUPAC Name: ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-cyanophenyl]carbamate hydrochloride Traditional Name: N-[4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-cyano-phenyl]carbamic acid ethyl ester hydrochloride Formula: C16H24ClN3O3 MolecularWeight: 341.83306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C=C(C=C1)C(CNC(C)(C)C)O)C#N.Cl

Isomeric SMILES

CCOC(=O)NC1=C(C=C(C=C1)C(CNC(C)(C)C)O)C#N.Cl

InChI

InChI=1S/C16H23N3O3.ClH/c1-5-22-15(21)19-13-7-6-11(8-12(13)9-17)14(20)10-18-16(2,3)4;/h6-8,14,18,20H,5,10H2,1-4H3,(H,19,21);1H