2-[[3-(1-oxidanylhexyl)phenoxy]methyl]-1,2,3,4-tetrahydroquinoline-3,4-diol

Systemtic Name: 2-[[3-(1-oxidanylhexyl)phenoxy]methyl]-1,2,3,4-tetrahydroquinoline-3,4-diol Openeye Name: 2-[[3-(1-hydroxyhexyl)phenoxy]methyl]-1,2,3,4-tetrahydroquinoline-3,4-diol CAS Name: 2-[[3-(1-hydroxyhexyl)phenoxy]methyl]-1,2,3,4-tetrahydroquinoline-3,4-diol IUPAC Name: 2-[[3-(1-hydroxyhexyl)phenoxy]methyl]-1,2,3,4-tetrahydroquinoline-3,4-diol Traditional Name: 2-[[3-(1-hydroxyhexyl)phenoxy]methyl]-1,2,3,4-tetrahydroquinoline-3,4-diol Formula: C22H29NO4 MolecularWeight: 371.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=CC=C1)OCC2C(C(C3=CC=CC=C3N2)O)O)O

Isomeric SMILES

CCCCCC(C1=CC(=CC=C1)OCC2C(C(C3=CC=CC=C3N2)O)O)O

InChI

InChI=1S/C22H29NO4/c1-2-3-4-12-20(24)15-8-7-9-16(13-15)27-14-19-22(26)21(25)17-10-5-6-11-18(17)23-19/h5-11,13,19-26H,2-4,12,14H2,1H3