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

Systemtic Name: 1-[3-(heptoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one Openeye Name: 1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propan-1-one CAS Name: 1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-1-propanone IUPAC Name: 1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one Traditional Name: 1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propan-1-one Formula: C23H39NO4 MolecularWeight: 393.56006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O

Isomeric SMILES

CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O

InChI

InChI=1S/C23H39NO4/c1-5-7-8-9-10-13-27-16-20-14-19(22(26)6-2)11-12-23(20)28-17-21(25)15-24-18(3)4/h11-12,14,18,21,24-25H,5-10,13,15-17H2,1-4H3