1-[3-(hexoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanone

Systemtic Name: 1-[3-(hexoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanone Openeye Name: 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethanone CAS Name: 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone IUPAC Name: 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone Traditional Name: 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethanone Formula: C21H35NO4 MolecularWeight: 365.5069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O

Isomeric SMILES

CCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O

InChI

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