1-[3-butyl-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: 1-[3-butyl-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol Openeye Name: 1-[3-butyl-2-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]-3-(isopropylamino)propan-2-ol CAS Name: 1-[3-butyl-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)-2-propanol IUPAC Name: 1-[3-butyl-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol Traditional Name: 1-[3-butyl-2-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]-3-(isopropylamino)propan-2-ol Formula: C22H40N2O4 MolecularWeight: 396.564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)OCC(CNC(C)C)O)OCC(CNC(C)C)O

Isomeric SMILES

CCCCC1=C(C(=CC=C1)OCC(CNC(C)C)O)OCC(CNC(C)C)O

InChI

InChI=1S/C22H40N2O4/c1-6-7-9-18-10-8-11-21(27-14-19(25)12-23-16(2)3)22(18)28-15-20(26)13-24-17(4)5/h8,10-11,16-17,19-20,23-26H,6-7,9,12-15H2,1-5H3