3-azanyl-4-(4-butoxyphenoxy)-3-methyl-1-(6-methylpyridin-3-yl)hexane-1,5-diol

Systemtic Name: 3-azanyl-4-(4-butoxyphenoxy)-3-methyl-1-(6-methylpyridin-3-yl)hexane-1,5-diol Openeye Name: 3-amino-4-(4-butoxyphenoxy)-3-methyl-1-(6-methyl-3-pyridyl)hexane-1,5-diol CAS Name: 3-amino-4-(4-butoxyphenoxy)-3-methyl-1-(6-methyl-3-pyridinyl)hexane-1,5-diol IUPAC Name: 3-amino-4-(4-butoxyphenoxy)-3-methyl-1-(6-methylpyridin-3-yl)hexane-1,5-diol Traditional Name: 3-amino-4-(4-butoxyphenoxy)-3-methyl-1-(6-methyl-3-pyridyl)hexane-1,5-diol Formula: C23H34N2O4 MolecularWeight: 402.52706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(C(C)O)C(C)(CC(C2=CN=C(C=C2)C)O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(C(C)O)C(C)(CC(C2=CN=C(C=C2)C)O)N

InChI

InChI=1S/C23H34N2O4/c1-5-6-13-28-19-9-11-20(12-10-19)29-22(17(3)26)23(4,24)14-21(27)18-8-7-16(2)25-15-18/h7-12,15,17,21-22,26-27H,5-6,13-14,24H2,1-4H3