1-[2-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-5-cyclohexyl-phenyl]ethanone

Systemtic Name: 1-[2-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-5-cyclohexyl-phenyl]ethanone Openeye Name: 1-[2-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-cyclohexyl-phenyl]ethanone CAS Name: 1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-cyclohexylphenyl]ethanone IUPAC Name: 1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-cyclohexylphenyl]ethanone Traditional Name: 1-[2-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-cyclohexyl-phenyl]ethanone Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)C2CCCCC2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C2CCCCC2)OC[C@H](CNC(C)(C)C)O

InChI

InChI=1S/C21H33NO3/c1-15(23)19-12-17(16-8-6-5-7-9-16)10-11-20(19)25-14-18(24)13-22-21(2,3)4/h10-12,16,18,22,24H,5-9,13-14H2,1-4H3/t18-/m0/s1