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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O

Isomeric SMILES

CCCCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O

InChI

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