4-[2-[6-[4-(3-methoxy-4-oxidanyl-phenyl)butoxy]hexylamino]-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[6-[4-(3-methoxy-4-oxidanyl-phenyl)butoxy]hexylamino]-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: 4-[1-hydroxy-2-[6-[4-(4-hydroxy-3-methoxy-phenyl)butoxy]hexylamino]ethyl]benzene-1,2-diol CAS Name: 4-[1-hydroxy-2-[6-[4-(4-hydroxy-3-methoxyphenyl)butoxy]hexylamino]ethyl]benzene-1,2-diol IUPAC Name: 4-[1-hydroxy-2-[6-[4-(4-hydroxy-3-methoxyphenyl)butoxy]hexylamino]ethyl]benzene-1,2-diol Traditional Name: 4-[1-hydroxy-2-[6-[4-(4-hydroxy-3-methoxy-phenyl)butoxy]hexylamino]ethyl]pyrocatechol Formula: C25H37NO6 MolecularWeight: 447.56438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O

InChI

InChI=1S/C25H37NO6/c1-31-25-16-19(9-11-22(25)28)8-4-7-15-32-14-6-3-2-5-13-26-18-24(30)20-10-12-21(27)23(29)17-20/h9-12,16-17,24,26-30H,2-8,13-15,18H2,1H3