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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4/c1-5-6-9-24-13-18-11-17(10-16(4)22)7-8-20(18)25-14-19(23)12-21-15(2)3/h7-8,11,15,19,21,23H,5-6,9-10,12-14H2,1-4H3