1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(pentoxymethyl)phenyl]ethanone

Systemtic Name: 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(pentoxymethyl)phenyl]ethanone Openeye Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(pentoxymethyl)phenyl]ethanone CAS Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(pentoxymethyl)phenyl]ethanone IUPAC Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(pentoxymethyl)phenyl]ethanone Traditional Name: 1-[3-(amoxymethyl)-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethanone Formula: C21H35NO4 MolecularWeight: 365.5069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C21H35NO4/c1-6-7-8-11-25-14-18-12-17(16(2)23)9-10-20(18)26-15-19(24)13-22-21(3,4)5/h9-10,12,19,22,24H,6-8,11,13-15H2,1-5H3