1-[3-(butoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one

Systemtic Name: 1-[3-(butoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one Openeye Name: 1-[3-(butoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propan-1-one CAS Name: 1-[3-(butoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-1-propanone IUPAC Name: 1-[3-(butoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one Traditional Name: 1-[3-(butoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propan-1-one Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O

Isomeric SMILES

CCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O

InChI

InChI=1S/C20H33NO4/c1-5-7-10-24-13-17-11-16(19(23)6-2)8-9-20(17)25-14-18(22)12-21-15(3)4/h8-9,11,15,18,21-22H,5-7,10,12-14H2,1-4H3